PubChemLite - 70321-82-3 (C26H22N4O5)

Structural Information

Molecular Formula

SMILES

COC1=CC=C(C=C1)NC(=O)C2=CC3=CC=CC=C3C(=C2O)N=NC4=C(C=CC(=C4)OC)C(=O)N

InChI

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

InChIKey

OHXCVDBUMXEGTJ-UHFFFAOYSA-N

Compound name

4-[(2-carbamoyl-5-methoxyphenyl)diazenyl]-3-hydroxy-N-(4-methoxyphenyl)naphthalene-2-carboxamide

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	211.3
[M+Na]+	493.14825	216.5
[M-H]-	469.15175	222.8
[M+NH4]+	488.19285	218.7
[M+K]+	509.12219	213.7
[M+H-H2O]+	453.15629	199.3
[M+HCOO]-	515.15723	236.2
[M+CH3COO]-	529.17288	250.5
[M+Na-2H]-	491.13370	214.1
[M]+	470.15848	214.4
[M]-	470.15958	214.4

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

471.16631

211.3

[M+Na]+

493.14825

216.5

[M-H]-

469.15175

222.8

[M+NH4]+

488.19285

218.7

[M+K]+

509.12219

213.7

[M+H-H2O]+

453.15629

199.3

[M+HCOO]-

515.15723

236.2

[M+CH3COO]-

529.17288

250.5

[M+Na-2H]-

491.13370

214.1

[M]+

470.15848

214.4

[M]-

470.15958

214.4

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

70321-82-3

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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