CID 2415595

1-(3,5-dimethylphenyl)-3-methyl-1h-pyrazol-5-amine

Structural Information

Molecular Formula
C12H15N3
SMILES
CC1=CC(=CC(=C1)N2C(=CC(=N2)C)N)C
InChI
InChI=1S/C12H15N3/c1-8-4-9(2)6-11(5-8)15-12(13)7-10(3)14-15/h4-7H,13H2,1-3H3
InChIKey
ZKWCQOGKTAHXKC-UHFFFAOYSA-N
Compound name
2-(3,5-dimethylphenyl)-5-methylpyrazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

12
Patents

201.1266 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.13388 145.3
[M+Na]+ 224.11582 155.7
[M-H]- 200.11932 150.1
[M+NH4]+ 219.16042 164.0
[M+K]+ 240.08976 151.7
[M+H-H2O]+ 184.12386 137.6
[M+HCOO]- 246.12480 169.0
[M+CH3COO]- 260.14045 190.0
[M+Na-2H]- 222.10127 148.4
[M]+ 201.12605 145.4
[M]- 201.12715 145.4
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