CID 4507

Nitrendipine

Structural Information

Molecular Formula
C18H20N2O6
SMILES
CCOC(=O)C1=C(NC(=C(C1C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OC)C)C
InChI
InChI=1S/C18H20N2O6/c1-5-26-18(22)15-11(3)19-10(2)14(17(21)25-4)16(15)12-7-6-8-13(9-12)20(23)24/h6-9,16,19H,5H2,1-4H3
InChIKey
PVHUJELLJLJGLN-UHFFFAOYSA-N
Compound name
5-O-ethyl 3-O-methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
8
Annotation Hits

2198
References

16877
Patents

360.13214 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.13942 182.0
[M+Na]+ 383.12136 187.7
[M-H]- 359.12486 186.4
[M+NH4]+ 378.16596 191.9
[M+K]+ 399.09530 181.0
[M+H-H2O]+ 343.12940 178.0
[M+HCOO]- 405.13034 200.9
[M+CH3COO]- 419.14599 208.5
[M+Na-2H]- 381.10681 182.9
[M]+ 360.13159 183.2
[M]- 360.13269 183.2
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