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

7
Patents

243.10817 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.115446 154.3
[M+Na]+ 266.097388 162.6
[M-H]- 242.100894 160.5
[M+NH4]+ 261.141993 174.2
[M+K]+ 282.071328 157.6
[M+H-H2O]+ 226.105430 147.4
[M+HCOO]- 288.106371 170.1
[M+CH3COO]- 302.122021 166.6
[M+Na-2H]- 264.082836 155.8
[M]+ 243.10762142 154.4
[M]- 243.10871858 154.4
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