CID 3041303

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

Structural Information

Molecular Formula
C14H15NOS
SMILES
C1CN(CC2=C1SC=C2)CC3=CC=C(C=C3)O
InChI
InChI=1S/C14H15NOS/c16-13-3-1-11(2-4-13)9-15-7-5-14-12(10-15)6-8-17-14/h1-4,6,8,16H,5,7,9-10H2
InChIKey
IAEYPGGDRGOVDG-UHFFFAOYSA-N
Compound name
4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

245.08743 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.09471 153.2
[M+Na]+ 268.07665 161.4
[M-H]- 244.08015 158.3
[M+NH4]+ 263.12125 172.3
[M+K]+ 284.05059 156.3
[M+H-H2O]+ 228.08469 146.8
[M+HCOO]- 290.08563 168.1
[M+CH3COO]- 304.10128 165.2
[M+Na-2H]- 266.06210 155.2
[M]+ 245.08688 152.7
[M]- 245.08798 152.7
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