CID 45055225

2-(2-(oxo(3-toluidino)acetyl)carbohydrazonoyl)phenyl 4-chlorobenzoate

Structural Information

Molecular Formula
C23H18ClN3O4
SMILES
CC1=CC(=CC=C1)NC(=O)C(=O)N/N=C/C2=CC=CC=C2OC(=O)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C23H18ClN3O4/c1-15-5-4-7-19(13-15)26-21(28)22(29)27-25-14-17-6-2-3-8-20(17)31-23(30)16-9-11-18(24)12-10-16/h2-14H,1H3,(H,26,28)(H,27,29)/b25-14+
InChIKey
CZNSEURJRCZSMM-AFUMVMLFSA-N
Compound name
[2-[(E)-[[2-(3-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 203.3
[M+Na]+ 458.08779 208.5
[M-H]- 434.09129 214.0
[M+NH4]+ 453.13239 212.6
[M+K]+ 474.06173 203.6
[M+H-H2O]+ 418.09583 193.2
[M+HCOO]- 480.09677 224.5
[M+CH3COO]- 494.11242 234.3
[M+Na-2H]- 456.07324 204.9
[M]+ 435.09802 207.0
[M]- 435.09912 207.0
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.