CID 163671

1-(4-chlorophenyl)-5-cyano-n-methyl-1h-pyrazole-4-carboxamide

Structural Information

Molecular Formula
C12H9ClN4O
SMILES
CNC(=O)C1=C(N(N=C1)C2=CC=C(C=C2)Cl)C#N
InChI
InChI=1S/C12H9ClN4O/c1-15-12(18)10-7-16-17(11(10)6-14)9-4-2-8(13)3-5-9/h2-5,7H,1H3,(H,15,18)
InChIKey
GXMVCIBGYNJHSW-UHFFFAOYSA-N
Compound name
1-(4-chlorophenyl)-5-cyano-N-methylpyrazole-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

260.04648 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.05376 156.4
[M+Na]+ 283.03570 169.1
[M+NH4]+ 278.08030 160.3
[M+K]+ 299.00964 161.1
[M-H]- 259.03920 151.6
[M+Na-2H]- 281.02115 160.9
[M]+ 260.04593 156.2
[M]- 260.04703 156.2
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

patents stripe