CID 4499

Nisoldipine

Structural Information

Molecular Formula
C20H24N2O6
SMILES
CC1=C(C(C(=C(N1)C)C(=O)OCC(C)C)C2=CC=CC=C2[N+](=O)[O-])C(=O)OC
InChI
InChI=1S/C20H24N2O6/c1-11(2)10-28-20(24)17-13(4)21-12(3)16(19(23)27-5)18(17)14-8-6-7-9-15(14)22(25)26/h6-9,11,18,21H,10H2,1-5H3
InChIKey
VKQFCGNPDRICFG-UHFFFAOYSA-N
Compound name
3-O-methyl 5-O-(2-methylpropyl) 2,6-dimethyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
8
Annotation Hits

821
References

27636
Patents

388.16342 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.17070 190.2
[M+Na]+ 411.15264 194.7
[M-H]- 387.15614 194.3
[M+NH4]+ 406.19724 198.8
[M+K]+ 427.12658 188.2
[M+H-H2O]+ 371.16068 186.1
[M+HCOO]- 433.16162 207.4
[M+CH3COO]- 447.17727 215.3
[M+Na-2H]- 409.13809 189.0
[M]+ 388.16287 191.4
[M]- 388.16397 191.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.