CID 3784

Isradipine

Structural Information

Molecular Formula
C19H21N3O5
SMILES
CC1=C(C(C(=C(N1)C)C(=O)OC(C)C)C2=CC=CC3=NON=C32)C(=O)OC
InChI
InChI=1S/C19H21N3O5/c1-9(2)26-19(24)15-11(4)20-10(3)14(18(23)25-5)16(15)12-7-6-8-13-17(12)22-27-21-13/h6-9,16,20H,1-5H3
InChIKey
HMJIYCCIJYRONP-UHFFFAOYSA-N
Compound name
3-O-methyl 5-O-propan-2-yl 4-(2,1,3-benzoxadiazol-4-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

1438
References

27640
Patents

371.14813 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.15541 186.8
[M+Na]+ 394.13735 199.3
[M+NH4]+ 389.18195 190.8
[M+K]+ 410.11129 197.7
[M-H]- 370.14085 188.1
[M+Na-2H]- 392.12280 189.6
[M]+ 371.14758 188.7
[M]- 371.14868 188.7
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