PubChemLite - 769148-57-4 (C32H30N2O6)

Structural Information

Molecular Formula

SMILES

CCOC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2)/C=N/NC(=O)C3=CC=C(C=C3)OCC4=CC=C(C=C4)C)OC

InChI

InChI=1S/C32H30N2O6/c1-4-38-27-16-12-26(13-17-27)32(36)40-29-18-9-24(19-30(29)37-3)20-33-34-31(35)25-10-14-28(15-11-25)39-21-23-7-5-22(2)6-8-23/h5-20H,4,21H2,1-3H3,(H,34,35)/b33-20+

InChIKey

ODVUJIKCPWDAOZ-FMFFXOCNSA-N

Compound name

[2-methoxy-4-[(E)-[[4-[(4-methylphenyl)methoxy]benzoyl]hydrazinylidene]methyl]phenyl] 4-ethoxybenzoate

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]+	539.21768	233.6
[M+Na]+	561.19962	236.6
[M-H]-	537.20312	246.5
[M+NH4]+	556.24422	237.2
[M+K]+	577.17356	233.3
[M+H-H2O]+	521.20766	219.5
[M+HCOO]-	583.20860	256.6
[M+CH3COO]-	597.22425	255.6
[M+Na-2H]-	559.18507	232.8
[M]+	538.20985	239.9
[M]-	538.21095	239.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

539.21768

233.6

[M+Na]+

561.19962

236.6

[M-H]-

537.20312

246.5

[M+NH4]+

556.24422

237.2

[M+K]+

577.17356

233.3

[M+H-H2O]+

521.20766

219.5

[M+HCOO]-

583.20860

256.6

[M+CH3COO]-

597.22425

255.6

[M+Na-2H]-

559.18507

232.8

[M]+

538.20985

239.9

[M]-

538.21095

239.9

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

769148-57-4

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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