769151-50-0 (C30H27N3O6)

Structural Information

Molecular Formula

SMILES

CCCOC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2)/C=N/NC(=O)C(=O)NC3=CC=CC4=CC=CC=C43)OC

InChI

InChI=1S/C30H27N3O6/c1-3-17-38-23-14-12-22(13-15-23)30(36)39-26-16-11-20(18-27(26)37-2)19-31-33-29(35)28(34)32-25-10-6-8-21-7-4-5-9-24(21)25/h4-16,18-19H,3,17H2,1-2H3,(H,32,34)(H,33,35)/b31-19+

InChIKey

ULVHOWQAUKJEGP-ZCTHSVRISA-N

Compound name

[2-methoxy-4-[(E)-[[2-(naphthalen-1-ylamino)-2-oxoacetyl]hydrazinylidene]methyl]phenyl] 4-propoxybenzoate

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]+	526.197276	226.2
[M+Na]+	548.179218	228.4
[M-H]-	524.182724	236.7
[M+NH4]+	543.223823	231.1
[M+K]+	564.153158	225.7
[M+H-H2O]+	508.187260	213.3
[M+HCOO]-	570.188201	248.7
[M+CH3COO]-	584.203851	254.8
[M+Na-2H]-	546.164666	227.8
[M]+	525.18945142	230.9
[M]-	525.19054858	230.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

526.197276

226.2

[M+Na]+

548.179218

228.4

[M-H]-

524.182724

236.7

[M+NH4]+

543.223823

231.1

[M+K]+

564.153158

225.7

[M+H-H2O]+

508.187260

213.3

[M+HCOO]-

570.188201

248.7

[M+CH3COO]-

584.203851

254.8

[M+Na-2H]-

546.164666

227.8

[M]+

525.18945142

230.9

[M]-

525.19054858

230.9

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

769151-50-0

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe