CID 68909

Riodipine

Structural Information

Molecular Formula
C18H19F2NO5
SMILES
CC1=C(C(C(=C(N1)C)C(=O)OC)C2=CC=CC=C2OC(F)F)C(=O)OC
InChI
InChI=1S/C18H19F2NO5/c1-9-13(16(22)24-3)15(14(10(2)21-9)17(23)25-4)11-7-5-6-8-12(11)26-18(19)20/h5-8,15,18,21H,1-4H3
InChIKey
AZVFIZVKGSPGPK-UHFFFAOYSA-N
Compound name
dimethyl 4-[2-(difluoromethoxy)phenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

66
References

551
Patents

367.12314 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.13042 186.8
[M+Na]+ 390.11236 196.2
[M+NH4]+ 385.15696 189.8
[M+K]+ 406.08630 192.4
[M-H]- 366.11586 184.6
[M+Na-2H]- 388.09781 188.8
[M]+ 367.12259 187.0
[M]- 367.12369 187.0
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