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-1-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrazol-5-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]+ 228.149516 152.3
[M+Na]+ 250.131458 160.3
[M-H]- 226.134964 156.8
[M+NH4]+ 245.176063 170.2
[M+K]+ 266.105398 155.3
[M+H-H2O]+ 210.139500 143.8
[M+HCOO]- 272.140441 172.2
[M+CH3COO]- 286.156091 164.1
[M+Na-2H]- 248.116906 156.0
[M]+ 227.14169142 148.7
[M]- 227.14278858 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.