CID 5362391

Ridogrel

Structural Information

Molecular Formula
C18H17F3N2O3
SMILES
C1=CC(=CC(=C1)C(F)(F)F)/C(=N\OCCCCC(=O)O)/C2=CN=CC=C2
InChI
InChI=1S/C18H17F3N2O3/c19-18(20,21)15-7-3-5-13(11-15)17(14-6-4-9-22-12-14)23-26-10-2-1-8-16(24)25/h3-7,9,11-12H,1-2,8,10H2,(H,24,25)/b23-17+
InChIKey
GLLPUTYLZIKEGF-HAVVHWLPSA-N
Compound name
5-[(E)-[pyridin-3-yl-[3-(trifluoromethyl)phenyl]methylidene]amino]oxypentanoic acid
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

92
References

2942
Patents

366.11914 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.12642 183.0
[M+Na]+ 389.10836 188.3
[M-H]- 365.11186 183.7
[M+NH4]+ 384.15296 192.9
[M+K]+ 405.08230 183.8
[M+H-H2O]+ 349.11640 171.0
[M+HCOO]- 411.11734 199.8
[M+CH3COO]- 425.13299 215.9
[M+Na-2H]- 387.09381 185.4
[M]+ 366.11859 181.1
[M]- 366.11969 181.1
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