769152-20-7 (C29H25N3O6)

Structural Information

Molecular Formula

SMILES

CCOC1=C(C=CC(=C1)/C=N/NC(=O)C(=O)NC2=CC=CC3=CC=CC=C32)OC(=O)C4=CC=C(C=C4)OC

InChI

InChI=1S/C29H25N3O6/c1-3-37-26-17-19(11-16-25(26)38-29(35)21-12-14-22(36-2)15-13-21)18-30-32-28(34)27(33)31-24-10-6-8-20-7-4-5-9-23(20)24/h4-18H,3H2,1-2H3,(H,31,33)(H,32,34)/b30-18+

InChIKey

TTWMORJPEFUZDG-UXHLAJHPSA-N

Compound name

[2-ethoxy-4-[(E)-[[2-(naphthalen-1-ylamino)-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]+	512.181626	221.9
[M+Na]+	534.163568	224.6
[M-H]-	510.167074	232.6
[M+NH4]+	529.208173	227.4
[M+K]+	550.137508	222.0
[M+H-H2O]+	494.171610	209.2
[M+HCOO]-	556.172551	244.8
[M+CH3COO]-	570.188201	252.0
[M+Na-2H]-	532.149016	224.0
[M]+	511.17380142	226.3
[M]-	511.17489858	226.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

512.181626

221.9

[M+Na]+

534.163568

224.6

[M-H]-

510.167074

232.6

[M+NH4]+

529.208173

227.4

[M+K]+

550.137508

222.0

[M+H-H2O]+

494.171610

209.2

[M+HCOO]-

556.172551

244.8

[M+CH3COO]-

570.188201

252.0

[M+Na-2H]-

532.149016

224.0

[M]+

511.17380142

226.3

[M]-

511.17489858

226.3

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

769152-20-7

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe