CID 9861403

144457-28-3

Structural Information

Molecular Formula
C15H14ClNO2S
SMILES
C1CN(CC2=C1SC=C2)[C@@H](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)/t14-/m0/s1
InChIKey
DCASRSISIKYPDD-AWEZNQCLSA-N
Compound name
(2S)-2-(2-chlorophenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

172
References

42869
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 167.1
[M+Na]+ 330.03259 174.7
[M-H]- 306.03609 172.0
[M+NH4]+ 325.07719 184.1
[M+K]+ 346.00653 169.0
[M+H-H2O]+ 290.04063 161.4
[M+HCOO]- 352.04157 175.2
[M+CH3COO]- 366.05722 177.7
[M+Na-2H]- 328.01804 166.2
[M]+ 307.04282 168.5
[M]- 307.04392 168.5
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.