CID 20312858

3,5-dimethyl-1-(3-methylphenyl)-1h-pyrazol-4-amine

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

201.1266 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.133876 145.3
[M+Na]+ 224.115818 155.7
[M-H]- 200.119324 150.1
[M+NH4]+ 219.160423 164.0
[M+K]+ 240.089758 151.7
[M+H-H2O]+ 184.123860 137.6
[M+HCOO]- 246.124801 169.0
[M+CH3COO]- 260.140451 190.0
[M+Na-2H]- 222.101266 148.4
[M]+ 201.12605142 145.4
[M]- 201.12714858 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

No literature data available for this compound.

Patent stripe

patents stripe