CID 60606

Clopidogrel

Structural Information

Molecular Formula
C16H16ClNO2S
SMILES
COC(=O)[C@H](C1=CC=CC=C1Cl)N2CCC3=C(C2)C=CS3
InChI
InChI=1S/C16H16ClNO2S/c1-20-16(19)15(12-4-2-3-5-13(12)17)18-8-6-14-11(10-18)7-9-21-14/h2-5,7,9,15H,6,8,10H2,1H3/t15-/m0/s1
InChIKey
GKTWGGQPFAXNFI-HNNXBMFYSA-N
Compound name
methyl (2S)-2-(2-chlorophenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetate
Related CIDs

2D Structure

compound 2d structure
8
Annotation Hits

13854
References

62277
Patents

321.05902 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.06630 170.1
[M+Na]+ 344.04824 183.0
[M+NH4]+ 339.09284 179.5
[M+K]+ 360.02218 175.3
[M-H]- 320.05174 173.9
[M+Na-2H]- 342.03369 176.1
[M]+ 321.05847 173.8
[M]- 321.05957 173.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe