CID 51701

Darodipine

Structural Information

Molecular Formula
C19H21N3O5
SMILES
CCOC(=O)C1=C(NC(=C(C1C2=CC=CC3=NON=C32)C(=O)OCC)C)C
InChI
InChI=1S/C19H21N3O5/c1-5-25-18(23)14-10(3)20-11(4)15(19(24)26-6-2)16(14)12-8-7-9-13-17(12)22-27-21-13/h7-9,16,20H,5-6H2,1-4H3
InChIKey
QERUYFVNIOLCHV-UHFFFAOYSA-N
Compound name
diethyl 4-(2,1,3-benzoxadiazol-4-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

84
References

2221
Patents

371.14813 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.155406 188.3
[M+Na]+ 394.137348 197.4
[M-H]- 370.140854 192.3
[M+NH4]+ 389.181953 197.5
[M+K]+ 410.111288 194.5
[M+H-H2O]+ 354.145390 179.0
[M+HCOO]- 416.146331 204.2
[M+CH3COO]- 430.161981 215.9
[M+Na-2H]- 392.122796 188.3
[M]+ 371.14758142 195.1
[M]- 371.14867858 195.1
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