CID 4474

Nicardipine

Structural Information

Molecular Formula
C26H29N3O6
SMILES
CC1=C(C(C(=C(N1)C)C(=O)OCCN(C)CC2=CC=CC=C2)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)OC
InChI
InChI=1S/C26H29N3O6/c1-17-22(25(30)34-4)24(20-11-8-12-21(15-20)29(32)33)23(18(2)27-17)26(31)35-14-13-28(3)16-19-9-6-5-7-10-19/h5-12,15,24,27H,13-14,16H2,1-4H3
InChIKey
ZBBHBTPTTSWHBA-UHFFFAOYSA-N
Compound name
5-O-[2-[benzyl(methyl)amino]ethyl] 3-O-methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

2747
References

49942
Patents

479.20563 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 480.21291 216.0
[M+Na]+ 502.19485 217.7
[M-H]- 478.19835 223.6
[M+NH4]+ 497.23945 220.1
[M+K]+ 518.16879 210.7
[M+H-H2O]+ 462.20289 208.7
[M+HCOO]- 524.20383 234.5
[M+CH3COO]- 538.21948 236.5
[M+Na-2H]- 500.18030 215.2
[M]+ 479.20508 217.3
[M]- 479.20618 217.3
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.