CID 11735990

5-amino-1-(2,4-dimethylphenyl)-1h-pyrazole-4-carbonitrile

Structural Information

Molecular Formula
C12H12N4
SMILES
CC1=CC(=C(C=C1)N2C(=C(C=N2)C#N)N)C
InChI
InChI=1S/C12H12N4/c1-8-3-4-11(9(2)5-8)16-12(14)10(6-13)7-15-16/h3-5,7H,14H2,1-2H3
InChIKey
GKFLMDJKODZPLE-UHFFFAOYSA-N
Compound name
5-amino-1-(2,4-dimethylphenyl)pyrazole-4-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

212.1062 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.113476 148.5
[M+Na]+ 235.095418 160.1
[M-H]- 211.098924 151.5
[M+NH4]+ 230.140023 164.2
[M+K]+ 251.069358 155.2
[M+H-H2O]+ 195.103460 133.6
[M+HCOO]- 257.104401 168.0
[M+CH3COO]- 271.120051 159.8
[M+Na-2H]- 233.080866 151.0
[M]+ 212.10565142 143.0
[M]- 212.10674858 143.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe