CID 3041275

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

Structural Information

Molecular Formula
C15H17NOS
SMILES
COC1=CC=C(C=C1)CN2CCC3=C(C2)C=CS3
InChI
InChI=1S/C15H17NOS/c1-17-14-4-2-12(3-5-14)10-16-8-6-15-13(11-16)7-9-18-15/h2-5,7,9H,6,8,10-11H2,1H3
InChIKey
QDYAYRZVUFLHAK-UHFFFAOYSA-N
Compound name
5-[(4-methoxyphenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

259.1031 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.11038 157.9
[M+Na]+ 282.09232 166.0
[M-H]- 258.09582 164.2
[M+NH4]+ 277.13692 177.1
[M+K]+ 298.06626 161.6
[M+H-H2O]+ 242.10036 150.9
[M+HCOO]- 304.10130 173.9
[M+CH3COO]- 318.11695 170.0
[M+Na-2H]- 280.07777 159.6
[M]+ 259.10255 159.4
[M]- 259.10365 159.4
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