CID 2225

Aranidipine

Structural Information

Molecular Formula
C19H20N2O7
SMILES
CC1=C(C(C(=C(N1)C)C(=O)OCC(=O)C)C2=CC=CC=C2[N+](=O)[O-])C(=O)OC
InChI
InChI=1S/C19H20N2O7/c1-10(22)9-28-19(24)16-12(3)20-11(2)15(18(23)27-4)17(16)13-7-5-6-8-14(13)21(25)26/h5-8,17,20H,9H2,1-4H3
InChIKey
NCUCGYYHUFIYNU-UHFFFAOYSA-N
Compound name
3-O-methyl 5-O-(2-oxopropyl) 2,6-dimethyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

38
References

5980
Patents

388.12704 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.13432 186.8
[M+Na]+ 411.11626 191.7
[M-H]- 387.11976 191.0
[M+NH4]+ 406.16086 195.1
[M+K]+ 427.09020 185.6
[M+H-H2O]+ 371.12430 182.7
[M+HCOO]- 433.12524 204.7
[M+CH3COO]- 447.14089 213.7
[M+Na-2H]- 409.10171 186.5
[M]+ 388.12649 188.3
[M]- 388.12759 188.3
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