CID 71683227

N-(1,3-thiazol-2-yl)-5,6,7,8-tetrahydroquinolin-8-amine

Structural Information

Molecular Formula
C12H13N3S
SMILES
C1CC(C2=C(C1)C=CC=N2)NC3=NC=CS3
InChI
InChI=1S/C12H13N3S/c1-3-9-4-2-6-13-11(9)10(5-1)15-12-14-7-8-16-12/h2,4,6-8,10H,1,3,5H2,(H,14,15)
InChIKey
CZPFYBLINQQIAZ-UHFFFAOYSA-N
Compound name
N-(5,6,7,8-tetrahydroquinolin-8-yl)-1,3-thiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

231.08302 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.09030 147.1
[M+Na]+ 254.07224 155.0
[M-H]- 230.07574 151.9
[M+NH4]+ 249.11684 165.4
[M+K]+ 270.04618 150.4
[M+H-H2O]+ 214.08028 139.3
[M+HCOO]- 276.08122 163.7
[M+CH3COO]- 290.09687 159.1
[M+Na-2H]- 252.05769 151.7
[M]+ 231.08247 145.6
[M]- 231.08357 145.6
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.