CID 51060994

4-(2-(((4-methylbenzoyl)amino)acetyl)carbohydrazonoyl)phenyl benzoate

Structural Information

Molecular Formula
C24H21N3O4
SMILES
CC1=CC=C(C=C1)C(=O)NCC(=O)N/N=C/C2=CC=C(C=C2)OC(=O)C3=CC=CC=C3
InChI
InChI=1S/C24H21N3O4/c1-17-7-11-19(12-8-17)23(29)25-16-22(28)27-26-15-18-9-13-21(14-10-18)31-24(30)20-5-3-2-4-6-20/h2-15H,16H2,1H3,(H,25,29)(H,27,28)/b26-15+
InChIKey
KAXOXICLGJMANN-CVKSISIWSA-N
Compound name
[4-[(E)-[[2-[(4-methylbenzoyl)amino]acetyl]hydrazinylidene]methyl]phenyl] benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

415.1532 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 416.160476 199.7
[M+Na]+ 438.142418 202.6
[M-H]- 414.145924 209.9
[M+NH4]+ 433.187023 208.4
[M+K]+ 454.116358 199.0
[M+H-H2O]+ 398.150460 188.3
[M+HCOO]- 460.151401 224.9
[M+CH3COO]- 474.167051 233.1
[M+Na-2H]- 436.127866 202.0
[M]+ 415.15265142 200.6
[M]- 415.15374858 200.6
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.