CID 57549062

5-amino-4-methyl-1-phenyl-1h-pyrazole-3-carbonitrile

Structural Information

Molecular Formula
C11H10N4
SMILES
CC1=C(N(N=C1C#N)C2=CC=CC=C2)N
InChI
InChI=1S/C11H10N4/c1-8-10(7-12)14-15(11(8)13)9-5-3-2-4-6-9/h2-6H,13H2,1H3
InChIKey
MFYSVJXHJBSJPT-UHFFFAOYSA-N
Compound name
5-amino-4-methyl-1-phenylpyrazole-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

76
Patents

198.09055 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.09783 144.4
[M+Na]+ 221.07977 155.5
[M-H]- 197.08327 147.1
[M+NH4]+ 216.12437 160.2
[M+K]+ 237.05371 150.7
[M+H-H2O]+ 181.08781 129.3
[M+HCOO]- 243.08875 164.1
[M+CH3COO]- 257.10440 155.7
[M+Na-2H]- 219.06522 148.0
[M]+ 198.09000 138.2
[M]- 198.09110 138.2
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