CID 9587885

Brn 2794656

Structural Information

Molecular Formula
C25H21N3O6
SMILES
CC(=O)NC1=CC=C(C=C1)C(=O)N/N=C/C2=CC(=CC=C2)OC(=O)C3=CC=CC=C3OC(=O)C
InChI
InChI=1S/C25H21N3O6/c1-16(29)27-20-12-10-19(11-13-20)24(31)28-26-15-18-6-5-7-21(14-18)34-25(32)22-8-3-4-9-23(22)33-17(2)30/h3-15H,1-2H3,(H,27,29)(H,28,31)/b26-15+
InChIKey
SNNYZOGIQRXFSO-CVKSISIWSA-N
Compound name
[3-[(E)-[(4-acetamidobenzoyl)hydrazinylidene]methyl]phenyl] 2-acetyloxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

459.14304 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 460.15032 208.6
[M+Na]+ 482.13226 211.3
[M-H]- 458.13576 219.0
[M+NH4]+ 477.17686 215.3
[M+K]+ 498.10620 209.5
[M+H-H2O]+ 442.14030 196.9
[M+HCOO]- 504.14124 232.8
[M+CH3COO]- 518.15689 241.5
[M+Na-2H]- 480.11771 208.9
[M]+ 459.14249 211.6
[M]- 459.14359 211.6
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.