CID 41656

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

Structural Information

Molecular Formula
C25H21N3O6
SMILES
CC(=O)NC1=CC=C(C=C1)C(=O)N=NCC2=CC=CC=C2OC(=O)C3=CC=CC=C3OC(=O)C
InChI
InChI=1S/C25H21N3O6/c1-16(29)27-20-13-11-18(12-14-20)24(31)28-26-15-19-7-3-5-9-22(19)34-25(32)21-8-4-6-10-23(21)33-17(2)30/h3-14H,15H2,1-2H3,(H,27,29)
InChIKey
HHCIBPZZTXVSLR-UHFFFAOYSA-N
Compound name
[2-[[(4-acetamidobenzoyl)diazenyl]methyl]phenyl] 2-acetyloxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

459.14304 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 460.15032 208.9
[M+Na]+ 482.13226 212.1
[M-H]- 458.13576 220.7
[M+NH4]+ 477.17686 216.3
[M+K]+ 498.10620 211.0
[M+H-H2O]+ 442.14030 196.9
[M+HCOO]- 504.14124 234.6
[M+CH3COO]- 518.15689 243.5
[M+Na-2H]- 480.11771 209.6
[M]+ 459.14249 213.6
[M]- 459.14359 213.6
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.