CID 3041293

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

Structural Information

Molecular Formula
C15H17NS
SMILES
CC1=CC=CC=C1CN2CCC3=C(C2)C=CS3
InChI
InChI=1S/C15H17NS/c1-12-4-2-3-5-13(12)10-16-8-6-15-14(11-16)7-9-17-15/h2-5,7,9H,6,8,10-11H2,1H3
InChIKey
MQZTYXPSOUASNZ-UHFFFAOYSA-N
Compound name
5-[(2-methylphenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

20
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 154.3
[M+Na]+ 266.09739 162.6
[M-H]- 242.10089 160.5
[M+NH4]+ 261.14199 174.2
[M+K]+ 282.07133 157.6
[M+H-H2O]+ 226.10543 147.4
[M+HCOO]- 288.10637 170.1
[M+CH3COO]- 302.12202 166.6
[M+Na-2H]- 264.08284 155.8
[M]+ 243.10762 154.4
[M]- 243.10872 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

literature stripe

Patent stripe

patents stripe