CID 648057

79932-21-1

Structural Information

Molecular Formula
C13H14N2S
SMILES
C1CC2=C(CC1C3=CC=CC=C3)SC(=N2)N
InChI
InChI=1S/C13H14N2S/c14-13-15-11-7-6-10(8-12(11)16-13)9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H2,14,15)
InChIKey
ULKFNJBNISYXTB-UHFFFAOYSA-N
Compound name
6-phenyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

10
Patents

230.08777 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.09505 148.4
[M+Na]+ 253.07699 156.8
[M-H]- 229.08049 154.4
[M+NH4]+ 248.12159 168.3
[M+K]+ 269.05093 151.7
[M+H-H2O]+ 213.08503 141.7
[M+HCOO]- 275.08597 165.3
[M+CH3COO]- 289.10162 160.9
[M+Na-2H]- 251.06244 150.9
[M]+ 230.08722 146.3
[M]- 230.08832 146.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe