CID 43159012

3-tert-butyl-4-methyl-1-phenyl-1h-pyrazol-5-amine hydrochloride

Structural Information

Molecular Formula
C14H19N3
SMILES
CC1=C(N(N=C1C(C)(C)C)C2=CC=CC=C2)N
InChI
InChI=1S/C14H19N3/c1-10-12(14(2,3)4)16-17(13(10)15)11-8-6-5-7-9-11/h5-9H,15H2,1-4H3
InChIKey
SXWAQFGSRUUZKH-UHFFFAOYSA-N
Compound name
5-tert-butyl-4-methyl-2-phenylpyrazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

229.1579 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.16518 154.8
[M+Na]+ 252.14712 167.5
[M+NH4]+ 247.19172 162.7
[M+K]+ 268.12106 163.2
[M-H]- 228.15062 157.9
[M+Na-2H]- 250.13257 162.3
[M]+ 229.15735 157.6
[M]- 229.15845 157.6
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.

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No patent data available for this compound.