CID 66426125

5-ethyl-1-(3-methylphenyl)-1h-pyrazol-4-amine hydrochloride

Structural Information

Molecular Formula
C12H15N3
SMILES
CCC1=C(C=NN1C2=CC=CC(=C2)C)N
InChI
InChI=1S/C12H15N3/c1-3-12-11(13)8-14-15(12)10-6-4-5-9(2)7-10/h4-8H,3,13H2,1-2H3
InChIKey
AWPGOVNRIOESAY-UHFFFAOYSA-N
Compound name
5-ethyl-1-(3-methylphenyl)pyrazol-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

201.1266 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.133876 145.1
[M+Na]+ 224.115818 154.7
[M-H]- 200.119324 149.6
[M+NH4]+ 219.160423 163.5
[M+K]+ 240.089758 150.6
[M+H-H2O]+ 184.123860 137.1
[M+HCOO]- 246.124801 168.9
[M+CH3COO]- 260.140451 188.8
[M+Na-2H]- 222.101266 149.0
[M]+ 201.12605142 144.9
[M]- 201.12714858 144.9
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

No patent data available for this compound.