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
3-tert-butyl-4-methyl-1-phenylpyrazol-5-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]+ 230.165176 155.3
[M+Na]+ 252.147118 164.4
[M-H]- 228.150624 159.8
[M+NH4]+ 247.191723 172.7
[M+K]+ 268.121058 160.4
[M+H-H2O]+ 212.155160 147.7
[M+HCOO]- 274.156101 176.7
[M+CH3COO]- 288.171751 194.6
[M+Na-2H]- 250.132566 158.8
[M]+ 229.15735142 155.2
[M]- 229.15844858 155.2
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.