CID 27394

P 1280

Structural Information

Molecular Formula
C17H18ClN3O2
SMILES
C1=CC=C(C=C1)CNC(=O)CCNNC(=O)C2=CC(=CC=C2)Cl
InChI
InChI=1S/C17H18ClN3O2/c18-15-8-4-7-14(11-15)17(23)21-20-10-9-16(22)19-12-13-5-2-1-3-6-13/h1-8,11,20H,9-10,12H2,(H,19,22)(H,21,23)
InChIKey
ZCBCHPDOHRDFDK-UHFFFAOYSA-N
Compound name
N-benzyl-3-[2-(3-chlorobenzoyl)hydrazinyl]propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

331.10876 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.11604 176.9
[M+Na]+ 354.09798 181.3
[M-H]- 330.10148 182.8
[M+NH4]+ 349.14258 190.1
[M+K]+ 370.07192 175.9
[M+H-H2O]+ 314.10602 168.8
[M+HCOO]- 376.10696 197.6
[M+CH3COO]- 390.12261 213.8
[M+Na-2H]- 352.08343 180.9
[M]+ 331.10821 177.7
[M]- 331.10931 177.7
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

patents stripe