PubChemLite - 5-[3-[[3-(5-methoxy-1,2-benzoxazol-3-yl)-2h-benzimidazol-1-yl]methyl]phenyl]-5-methyl-1,3-oxazolidine-2,4-dione (C26H22N4O5)

Structural Information

Molecular Formula

SMILES

CC1(C(=O)NC(=O)O1)C2=CC=CC(=C2)CN3CN(C4=CC=CC=C43)C5=NOC6=C5C=C(C=C6)OC

InChI

InChI=1S/C26H22N4O5/c1-26(24(31)27-25(32)34-26)17-7-5-6-16(12-17)14-29-15-30(21-9-4-3-8-20(21)29)23-19-13-18(33-2)10-11-22(19)35-28-23/h3-13H,14-15H2,1-2H3,(H,27,31,32)

InChIKey

JWDZOOIQXQEXMF-UHFFFAOYSA-N

Compound name

5-[3-[[3-(5-methoxy-1,2-benzoxazol-3-yl)-2H-benzimidazol-1-yl]methyl]phenyl]-5-methyl-1,3-oxazolidine-2,4-dione

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	471.16631	207.7
[M+Na]+	493.14825	218.1
[M-H]-	469.15175	219.6
[M+NH4]+	488.19285	215.9
[M+K]+	509.12219	214.0
[M+H-H2O]+	453.15629	198.5
[M+HCOO]-	515.15723	221.8
[M+CH3COO]-	529.17288	217.0
[M+Na-2H]-	491.13370	204.1
[M]+	470.15848	213.0
[M]-	470.15958	213.0

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

471.16631

207.7

[M+Na]+

493.14825

218.1

[M-H]-

469.15175

219.6

[M+NH4]+

488.19285

215.9

[M+K]+

509.12219

214.0

[M+H-H2O]+

453.15629

198.5

[M+HCOO]-

515.15723

221.8

[M+CH3COO]-

529.17288

217.0

[M+Na-2H]-

491.13370

204.1

[M]+

470.15848

213.0

[M]-

470.15958

213.0

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

5-[3-[[3-(5-methoxy-1,2-benzoxazol-3-yl)-2h-benzimidazol-1-yl]methyl]phenyl]-5-methyl-1,3-oxazolidine-2,4-dione

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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