CID 4129546

Clopidogrel carboxylic acid

Structural Information

Molecular Formula
C15H14ClNO2S
SMILES
C1CN(CC2=C1SC=C2)C(C3=CC=CC=C3Cl)C(=O)O
InChI
InChI=1S/C15H14ClNO2S/c16-12-4-2-1-3-11(12)14(15(18)19)17-7-5-13-10(9-17)6-8-20-13/h1-4,6,8,14H,5,7,9H2,(H,18,19)
InChIKey
DCASRSISIKYPDD-UHFFFAOYSA-N
Compound name
2-(2-chlorophenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

172
References

31362
Patents

307.04337 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.05065 165.7
[M+Na]+ 330.03259 178.2
[M+NH4]+ 325.07719 174.8
[M+K]+ 346.00653 171.1
[M-H]- 306.03609 169.0
[M+Na-2H]- 328.01804 171.3
[M]+ 307.04282 169.1
[M]- 307.04392 169.1
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

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