CID 51060523

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

Structural Information

Molecular Formula
C25H23N3O5
SMILES
CC1=CC=C(C=C1)C(=O)NCC(=O)N/N=C/C2=CC(=C(C=C2)OC(=O)C3=CC=CC=C3)OC
InChI
InChI=1S/C25H23N3O5/c1-17-8-11-19(12-9-17)24(30)26-16-23(29)28-27-15-18-10-13-21(22(14-18)32-2)33-25(31)20-6-4-3-5-7-20/h3-15H,16H2,1-2H3,(H,26,30)(H,28,29)/b27-15+
InChIKey
AUVZCOIWKTWOEV-JFLMPSFJSA-N
Compound name
[2-methoxy-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

445.16376 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 446.17104 207.0
[M+Na]+ 468.15298 210.0
[M-H]- 444.15648 217.4
[M+NH4]+ 463.19758 214.6
[M+K]+ 484.12692 207.2
[M+H-H2O]+ 428.16102 195.3
[M+HCOO]- 490.16196 231.9
[M+CH3COO]- 504.17761 239.6
[M+Na-2H]- 466.13843 208.3
[M]+ 445.16321 210.0
[M]- 445.16431 210.0
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.