CID 2302321

143361-89-1

Structural Information

Molecular Formula
C15H15N3S
SMILES
C1CCC2=C(C1)C(=C(S2)N)C3=NC4=CC=CC=C4N3
InChI
InChI=1S/C15H15N3S/c16-14-13(9-5-1-4-8-12(9)19-14)15-17-10-6-2-3-7-11(10)18-15/h2-3,6-7H,1,4-5,8,16H2,(H,17,18)
InChIKey
GEDRCOPDWFLKTQ-UHFFFAOYSA-N
Compound name
3-(1H-benzimidazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

269.09866 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.10594 157.3
[M+Na]+ 292.08788 167.9
[M-H]- 268.09138 162.7
[M+NH4]+ 287.13248 176.8
[M+K]+ 308.06182 161.2
[M+H-H2O]+ 252.09592 151.1
[M+HCOO]- 314.09686 173.1
[M+CH3COO]- 328.11251 169.4
[M+Na-2H]- 290.07333 158.9
[M]+ 269.09811 156.7
[M]- 269.09921 156.7
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

No patent data available for this compound.