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

7
Patents

245.08743 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.094706 153.2
[M+Na]+ 268.076648 161.4
[M-H]- 244.080154 158.3
[M+NH4]+ 263.121253 172.3
[M+K]+ 284.050588 156.3
[M+H-H2O]+ 228.084690 146.8
[M+HCOO]- 290.085631 168.1
[M+CH3COO]- 304.101281 165.2
[M+Na-2H]- 266.062096 155.2
[M]+ 245.08688142 152.7
[M]- 245.08797858 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