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 151.9
[M+Na]+ 258.07685 165.8
[M+NH4]+ 253.12145 160.3
[M+K]+ 274.05079 160.4
[M-H]- 234.08035 155.4
[M+Na-2H]- 256.06230 159.5
[M]+ 235.08708 155.1
[M]- 235.08818 155.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

Patent stripe

No patent data available for this compound.