CID 28391151

4-{4h,5h,6h,7h-thieno[3,2-c]pyridine-5-carbonyl}phenol

Structural Information

Molecular Formula
C14H13NO2S
SMILES
C1CN(CC2=C1SC=C2)C(=O)C3=CC=C(C=C3)O
InChI
InChI=1S/C14H13NO2S/c16-12-3-1-10(2-4-12)14(17)15-7-5-13-11(9-15)6-8-18-13/h1-4,6,8,16H,5,7,9H2
InChIKey
BZGZHCVWEMYZFR-UHFFFAOYSA-N
Compound name
6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-(4-hydroxyphenyl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

259.0667 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.073976 156.8
[M+Na]+ 282.055918 164.6
[M-H]- 258.059424 161.9
[M+NH4]+ 277.100523 175.0
[M+K]+ 298.029858 160.1
[M+H-H2O]+ 242.063960 150.4
[M+HCOO]- 304.064901 170.9
[M+CH3COO]- 318.080551 168.4
[M+Na-2H]- 280.041366 157.7
[M]+ 259.06615142 156.2
[M]- 259.06724858 156.2
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

No patent data available for this compound.