CID 9587892

Benzoic acid, 2-(acetyloxy)-, 4-(((4-(acetylamino)benzoyl)hydrazono)methyl)-2-methoxyphenyl ester

Structural Information

Molecular Formula
C26H23N3O7
SMILES
CC(=O)NC1=CC=C(C=C1)C(=O)N/N=C/C2=CC(=C(C=C2)OC(=O)C3=CC=CC=C3OC(=O)C)OC
InChI
InChI=1S/C26H23N3O7/c1-16(30)28-20-11-9-19(10-12-20)25(32)29-27-15-18-8-13-23(24(14-18)34-3)36-26(33)21-6-4-5-7-22(21)35-17(2)31/h4-15H,1-3H3,(H,28,30)(H,29,32)/b27-15+
InChIKey
NCANFMKAAKZYPK-JFLMPSFJSA-N
Compound name
[4-[(E)-[(4-acetamidobenzoyl)hydrazinylidene]methyl]-2-methoxyphenyl] 2-acetyloxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

489.1536 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 490.16088 215.3
[M+Na]+ 512.14282 218.2
[M-H]- 488.14632 225.9
[M+NH4]+ 507.18742 221.0
[M+K]+ 528.11676 217.3
[M+H-H2O]+ 472.15086 203.4
[M+HCOO]- 534.15180 239.3
[M+CH3COO]- 548.16745 248.0
[M+Na-2H]- 510.12827 214.7
[M]+ 489.15305 220.4
[M]- 489.15415 220.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.