CID 66439612

1-(2-chlorophenyl)-5-(propan-2-yl)-1h-pyrazol-4-amine hydrochloride

Structural Information

Molecular Formula
C12H14ClN3
SMILES
CC(C)C1=C(C=NN1C2=CC=CC=C2Cl)N
InChI
InChI=1S/C12H14ClN3/c1-8(2)12-10(14)7-15-16(12)11-6-4-3-5-9(11)13/h3-8H,14H2,1-2H3
InChIKey
DZBFKRJCUWBFEL-UHFFFAOYSA-N
Compound name
1-(2-chlorophenyl)-5-propan-2-ylpyrazol-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

235.08763 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.09491 152.8
[M+Na]+ 258.07685 162.6
[M-H]- 234.08035 157.0
[M+NH4]+ 253.12145 170.5
[M+K]+ 274.05079 157.3
[M+H-H2O]+ 218.08489 145.1
[M+HCOO]- 280.08583 170.7
[M+CH3COO]- 294.10148 193.5
[M+Na-2H]- 256.06230 154.8
[M]+ 235.08708 153.8
[M]- 235.08818 153.8
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.