CID 51060566

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

Structural Information

Molecular Formula
C25H22ClN3O5
SMILES
CC1=CC=C(C=C1)C(=O)NCC(=O)N/N=C/C2=CC(=C(C=C2)OC(=O)C3=CC=C(C=C3)Cl)OC
InChI
InChI=1S/C25H22ClN3O5/c1-16-3-6-18(7-4-16)24(31)27-15-23(30)29-28-14-17-5-12-21(22(13-17)33-2)34-25(32)19-8-10-20(26)11-9-19/h3-14H,15H2,1-2H3,(H,27,31)(H,29,30)/b28-14+
InChIKey
IIJMKVRDHDDQJW-CCVNUDIWSA-N
Compound name
[2-methoxy-4-[(E)-[[2-[(4-methylbenzoyl)amino]acetyl]hydrazinylidene]methyl]phenyl] 4-chlorobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

479.1248 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 480.13208 214.4
[M+Na]+ 502.11402 219.2
[M-H]- 478.11752 225.0
[M+NH4]+ 497.15862 221.9
[M+K]+ 518.08796 214.9
[M+H-H2O]+ 462.12206 203.8
[M+HCOO]- 524.12300 234.9
[M+CH3COO]- 538.13865 244.2
[M+Na-2H]- 500.09947 214.4
[M]+ 479.12425 220.6
[M]- 479.12535 220.6
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.