CID 9587891

Benzoic acid, 4-(acetylamino)-, ((3-methoxy-4-((3-nitrobenzoyl)oxy)phenyl)methylene)hydrazide

Structural Information

Molecular Formula
C24H20N4O7
SMILES
CC(=O)NC1=CC=C(C=C1)C(=O)N/N=C/C2=CC(=C(C=C2)OC(=O)C3=CC(=CC=C3)[N+](=O)[O-])OC
InChI
InChI=1S/C24H20N4O7/c1-15(29)26-19-9-7-17(8-10-19)23(30)27-25-14-16-6-11-21(22(12-16)34-2)35-24(31)18-4-3-5-20(13-18)28(32)33/h3-14H,1-2H3,(H,26,29)(H,27,30)/b25-14+
InChIKey
UCRRZTNTUDZEOG-AFUMVMLFSA-N
Compound name
[4-[(E)-[(4-acetamidobenzoyl)hydrazinylidene]methyl]-2-methoxyphenyl] 3-nitrobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

476.1332 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 477.14048 209.5
[M+Na]+ 499.12242 210.9
[M-H]- 475.12592 219.8
[M+NH4]+ 494.16702 214.5
[M+K]+ 515.09636 205.3
[M+H-H2O]+ 459.13046 201.8
[M+HCOO]- 521.13140 235.1
[M+CH3COO]- 535.14705 238.3
[M+Na-2H]- 497.10787 212.8
[M]+ 476.13265 210.7
[M]- 476.13375 210.7
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.