CID 43148032

4-methyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)-1h-pyrazol-5-amine hydrochloride

Structural Information

Molecular Formula
C14H17N3
SMILES
CC1=C(N(N=C1)C2CCCC3=CC=CC=C23)N
InChI
InChI=1S/C14H17N3/c1-10-9-16-17(14(10)15)13-8-4-6-11-5-2-3-7-12(11)13/h2-3,5,7,9,13H,4,6,8,15H2,1H3
InChIKey
PNJFMCIXVQWPBS-UHFFFAOYSA-N
Compound name
4-methyl-2-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

227.14224 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.14952 152.3
[M+Na]+ 250.13146 160.3
[M-H]- 226.13496 156.8
[M+NH4]+ 245.17606 170.2
[M+K]+ 266.10540 155.3
[M+H-H2O]+ 210.13950 143.8
[M+HCOO]- 272.14044 172.2
[M+CH3COO]- 286.15609 164.1
[M+Na-2H]- 248.11691 156.0
[M]+ 227.14169 148.7
[M]- 227.14279 148.7
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.