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 158.9
[M+Na]+ 283.03570 170.3
[M-H]- 259.03920 161.8
[M+NH4]+ 278.08030 173.4
[M+K]+ 299.00964 164.3
[M+H-H2O]+ 243.04374 143.9
[M+HCOO]- 305.04468 174.1
[M+CH3COO]- 319.06033 206.6
[M+Na-2H]- 281.02115 161.2
[M]+ 260.04593 155.6
[M]- 260.04703 155.6
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