CID 3041295

Thieno(3,2-c)pyridine, 4,5,6,7-tetrahydro-5-((3-methylphenyl)methyl)-, monohydrochloride

Structural Information

Molecular Formula
C15H17NS
SMILES
CC1=CC(=CC=C1)CN2CCC3=C(C2)C=CS3
InChI
InChI=1S/C15H17NS/c1-12-3-2-4-13(9-12)10-16-7-5-15-14(11-16)6-8-17-15/h2-4,6,8-9H,5,7,10-11H2,1H3
InChIKey
CHWVJDVTYSBUEF-UHFFFAOYSA-N
Compound name
5-[(3-methylphenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

243.10817 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.11545 154.1
[M+Na]+ 266.09739 168.1
[M+NH4]+ 261.14199 165.1
[M+K]+ 282.07133 158.8
[M-H]- 242.10089 159.5
[M+Na-2H]- 264.08284 161.7
[M]+ 243.10762 158.3
[M]- 243.10872 158.3
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

patents stripe