CID 157839

Lidorestat

Structural Information

Molecular Formula
C18H11F3N2O2S
SMILES
C1=CC=C2C(=C1)C(=CN2CC(=O)O)CC3=NC4=C(C(=CC(=C4S3)F)F)F
InChI
InChI=1S/C18H11F3N2O2S/c19-11-6-12(20)18-17(16(11)21)22-14(26-18)5-9-7-23(8-15(24)25)13-4-2-1-3-10(9)13/h1-4,6-7H,5,8H2,(H,24,25)
InChIKey
KYHVTMFADJNSGS-UHFFFAOYSA-N
Compound name
2-[3-[(4,5,7-trifluoro-1,3-benzothiazol-2-yl)methyl]indol-1-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

10
References

486
Patents

376.04935 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.05663 181.3
[M+Na]+ 399.03857 196.0
[M-H]- 375.04207 185.0
[M+NH4]+ 394.08317 197.4
[M+K]+ 415.01251 188.4
[M+H-H2O]+ 359.04661 172.7
[M+HCOO]- 421.04755 195.9
[M+CH3COO]- 435.06320 192.9
[M+Na-2H]- 397.02402 179.6
[M]+ 376.04880 187.1
[M]- 376.04990 187.1
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

patents stripe