CID 9637881

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

Structural Information

Molecular Formula
C22H16ClN3O4
SMILES
C1=CC=C(C=C1)NC(=O)C(=O)N/N=C/C2=CC(=CC=C2)OC(=O)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C22H16ClN3O4/c23-17-11-9-16(10-12-17)22(29)30-19-8-4-5-15(13-19)14-24-26-21(28)20(27)25-18-6-2-1-3-7-18/h1-14H,(H,25,27)(H,26,28)/b24-14+
InChIKey
VNDHVZOFZLUITF-ZVHZXABRSA-N
Compound name
[3-[(E)-[(2-anilino-2-oxoacetyl)hydrazinylidene]methyl]phenyl] 4-chlorobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

421.08295 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 422.09023 198.3
[M+Na]+ 444.07217 203.1
[M-H]- 420.07567 208.8
[M+NH4]+ 439.11677 207.9
[M+K]+ 460.04611 198.2
[M+H-H2O]+ 404.08021 188.2
[M+HCOO]- 466.08115 219.8
[M+CH3COO]- 480.09680 230.1
[M+Na-2H]- 442.05762 201.2
[M]+ 421.08240 201.2
[M]- 421.08350 201.2
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.