CID 10664296

Desisobutyl nisoldipine

Structural Information

Molecular Formula
C16H16N2O6
SMILES
CC1=C(C(C(=C(N1)C)C(=O)OC)C2=CC=CC=C2[N+](=O)[O-])C(=O)O
InChI
InChI=1S/C16H16N2O6/c1-8-12(15(19)20)14(13(9(2)17-8)16(21)24-3)10-6-4-5-7-11(10)18(22)23/h4-7,14,17H,1-3H3,(H,19,20)
InChIKey
IGTNUCYFOBDUEF-UHFFFAOYSA-N
Compound name
5-methoxycarbonyl-2,6-dimethyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

207
Patents

332.10083 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.10811 173.2
[M+Na]+ 355.09005 185.2
[M+NH4]+ 350.13465 177.5
[M+K]+ 371.06399 184.3
[M-H]- 331.09355 174.9
[M+Na-2H]- 353.07550 176.8
[M]+ 332.10028 174.9
[M]- 332.10138 174.9
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

patents stripe