CID 51060734

881446-79-3

Structural Information

Molecular Formula
C23H18ClN3O4
SMILES
CC1=CC=C(C=C1)NC(=O)C(=O)N/N=C/C2=CC=C(C=C2)OC(=O)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C23H18ClN3O4/c1-15-2-10-19(11-3-15)26-21(28)22(29)27-25-14-16-4-12-20(13-5-16)31-23(30)17-6-8-18(24)9-7-17/h2-14H,1H3,(H,26,28)(H,27,29)/b25-14+
InChIKey
FKGJAOPGYKOHLE-AFUMVMLFSA-N
Compound name
[4-[(E)-[[2-(4-methylanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenyl] 4-chlorobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

435.09857 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 436.10585 202.9
[M+Na]+ 458.08779 215.7
[M+NH4]+ 453.13239 208.5
[M+K]+ 474.06173 208.1
[M-H]- 434.09129 209.3
[M+Na-2H]- 456.07324 212.0
[M]+ 435.09802 206.6
[M]- 435.09912 206.6
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.