CID 379781

Nsc664871

Structural Information

Molecular Formula
C16H14ClN3O3
SMILES
C1=CC=C(C=C1)C(=O)N(C2=CC=C(C=C2)Cl)C(=O)CC(=O)NN
InChI
InChI=1S/C16H14ClN3O3/c17-12-6-8-13(9-7-12)20(15(22)10-14(21)19-18)16(23)11-4-2-1-3-5-11/h1-9H,10,18H2,(H,19,21)
InChIKey
OOMOLFXKPKJVOG-UHFFFAOYSA-N
Compound name
N-(4-chlorophenyl)-N-(3-hydrazinyl-3-oxopropanoyl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

331.07236 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.07964 175.4
[M+Na]+ 354.06158 180.4
[M-H]- 330.06508 182.8
[M+NH4]+ 349.10618 188.9
[M+K]+ 370.03552 177.0
[M+H-H2O]+ 314.06962 167.6
[M+HCOO]- 376.07056 195.9
[M+CH3COO]- 390.08621 215.2
[M+Na-2H]- 352.04703 177.1
[M]+ 331.07181 176.3
[M]- 331.07291 176.3
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.