CID 20346859

4-oxo ticlopidine

Structural Information

Molecular Formula
C14H12ClNOS
SMILES
C1CN(C(=O)C2=C1SC=C2)CC3=CC=CC=C3Cl
InChI
InChI=1S/C14H12ClNOS/c15-12-4-2-1-3-10(12)9-16-7-5-13-11(14(16)17)6-8-18-13/h1-4,6,8H,5,7,9H2
InChIKey
KQQBLQBNIVSMLU-UHFFFAOYSA-N
Compound name
5-[(2-chlorophenyl)methyl]-6,7-dihydrothieno[3,2-c]pyridin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

277.0328 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.04008 160.3
[M+Na]+ 300.02202 170.6
[M-H]- 276.02552 167.0
[M+NH4]+ 295.06662 179.8
[M+K]+ 315.99596 164.3
[M+H-H2O]+ 260.03006 154.3
[M+HCOO]- 322.03100 172.1
[M+CH3COO]- 336.04665 172.7
[M+Na-2H]- 298.00747 161.2
[M]+ 277.03225 163.2
[M]- 277.03335 163.2
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

patents stripe