PubChemLite - 147403-52-9 (C26H22N4O5)

Structural Information

Molecular Formula

SMILES

CCOC1=NC2=CC=CC(=C2N1CC3=CC=C(C=C3)C4=CC=CC=C4C5=NOC(=O)N5)C(=O)OC

InChI

InChI=1S/C26H22N4O5/c1-3-34-25-27-21-10-6-9-20(24(31)33-2)22(21)30(25)15-16-11-13-17(14-12-16)18-7-4-5-8-19(18)23-28-26(32)35-29-23/h4-14H,3,15H2,1-2H3,(H,28,29,32)

InChIKey

PCMXVTVLQVGYLX-UHFFFAOYSA-N

Compound name

methyl 2-ethoxy-3-[[4-[2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]phenyl]methyl]benzimidazole-4-carboxylate

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	212.1
[M+Na]+	493.14825	228.6
[M+NH4]+	488.19285	216.4
[M+K]+	509.12219	225.7
[M-H]-	469.15175	218.1
[M+Na-2H]-	491.13370	220.0
[M]+	470.15848	216.2
[M]-	470.15958	216.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

471.16631

212.1

[M+Na]+

493.14825

228.6

[M+NH4]+

488.19285

216.4

[M+K]+

509.12219

225.7

[M-H]-

469.15175

218.1

[M+Na-2H]-

491.13370

220.0

[M]+

470.15848

216.2

[M]-

470.15958

216.2

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

147403-52-9

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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