PubChemLite - 881464-15-9 (C25H23N3O7)

Structural Information

Molecular Formula

SMILES

COC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2)/C=N/NC(=O)C(=O)NC3=CC(=CC=C3)OC)OC

InChI

InChI=1S/C25H23N3O7/c1-32-19-10-8-17(9-11-19)25(31)35-21-12-7-16(13-22(21)34-3)15-26-28-24(30)23(29)27-18-5-4-6-20(14-18)33-2/h4-15H,1-3H3,(H,27,29)(H,28,30)/b26-15+

InChIKey

CSTWKJBQWUBFKR-CVKSISIWSA-N

Compound name

[2-methoxy-4-[(E)-[[2-(3-methoxyanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenyl] 4-methoxybenzoate

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]+	478.16088	212.0
[M+Na]+	500.14282	215.3
[M-H]-	476.14632	222.7
[M+NH4]+	495.18742	218.3
[M+K]+	516.11676	214.5
[M+H-H2O]+	460.15086	199.9
[M+HCOO]-	522.15180	237.1
[M+CH3COO]-	536.16745	244.8
[M+Na-2H]-	498.12827	213.0
[M]+	477.15305	218.0
[M]-	477.15415	218.0

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

478.16088

212.0

[M+Na]+

500.14282

215.3

[M-H]-

476.14632

222.7

[M+NH4]+

495.18742

218.3

[M+K]+

516.11676

214.5

[M+H-H2O]+

460.15086

199.9

[M+HCOO]-

522.15180

237.1

[M+CH3COO]-

536.16745

244.8

[M+Na-2H]-

498.12827

213.0

[M]+

477.15305

218.0

[M]-

477.15415

218.0

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

881464-15-9

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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