CID 25598

P 1205

Structural Information

Molecular Formula
C16H17ClN4O2
SMILES
C1=CC(=CC=C1CNC(=O)CCNNC(=O)C2=CC=NC=C2)Cl
InChI
InChI=1S/C16H17ClN4O2/c17-14-3-1-12(2-4-14)11-19-15(22)7-10-20-21-16(23)13-5-8-18-9-6-13/h1-6,8-9,20H,7,10-11H2,(H,19,22)(H,21,23)
InChIKey
JFCLDVTWLBPXFS-UHFFFAOYSA-N
Compound name
N-[(4-chlorophenyl)methyl]-3-[2-(pyridine-4-carbonyl)hydrazinyl]propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

332.104 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.11128 176.8
[M+Na]+ 355.09322 187.8
[M+NH4]+ 350.13782 183.0
[M+K]+ 371.06716 180.9
[M-H]- 331.09672 180.8
[M+Na-2H]- 353.07867 184.5
[M]+ 332.10345 179.4
[M]- 332.10455 179.4
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.