CID 2325215

143361-87-9

Structural Information

Molecular Formula
C15H14N2S2
SMILES
C1CCC2=C(C1)C(=C(S2)N)C3=NC4=CC=CC=C4S3
InChI
InChI=1S/C15H14N2S2/c16-14-13(9-5-1-3-7-11(9)18-14)15-17-10-6-2-4-8-12(10)19-15/h2,4,6,8H,1,3,5,7,16H2
InChIKey
JFFSOOBVRATNTK-UHFFFAOYSA-N
Compound name
3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

2
Patents

286.05984 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.06712 159.3
[M+Na]+ 309.04906 171.1
[M-H]- 285.05256 167.0
[M+NH4]+ 304.09366 180.7
[M+K]+ 325.02300 164.8
[M+H-H2O]+ 269.05710 154.9
[M+HCOO]- 331.05804 172.7
[M+CH3COO]- 345.07369 172.1
[M+Na-2H]- 307.03451 160.2
[M]+ 286.05929 161.6
[M]- 286.06039 161.6
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