CID 27493

P 1249

Structural Information

Molecular Formula
C16H17ClN4O2
SMILES
C1=CC=C(C(=C1)CNC(=O)CCNNC(=O)C2=CC=NC=C2)Cl
InChI
InChI=1S/C16H17ClN4O2/c17-14-4-2-1-3-13(14)11-19-15(22)7-10-20-21-16(23)12-5-8-18-9-6-12/h1-6,8-9,20H,7,10-11H2,(H,19,22)(H,21,23)
InChIKey
QQZPSUBNXOTVCY-UHFFFAOYSA-N
Compound name
N-[(2-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 175.6
[M+Na]+ 355.09322 180.3
[M-H]- 331.09672 180.3
[M+NH4]+ 350.13782 187.4
[M+K]+ 371.06716 175.1
[M+H-H2O]+ 315.10126 166.6
[M+HCOO]- 377.10220 195.4
[M+CH3COO]- 391.11785 213.5
[M+Na-2H]- 353.07867 180.6
[M]+ 332.10345 176.5
[M]- 332.10455 176.5
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.