CID 3039504

Ethyl methyl 1,2,6-trimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate

Structural Information

Molecular Formula
C19H22N2O6
SMILES
CCOC(=O)C1=C(N(C(=C(C1C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OC)C)C)C
InChI
InChI=1S/C19H22N2O6/c1-6-27-19(23)16-12(3)20(4)11(2)15(18(22)26-5)17(16)13-8-7-9-14(10-13)21(24)25/h7-10,17H,6H2,1-5H3
InChIKey
HHWSTZALTBWGPQ-UHFFFAOYSA-N
Compound name
5-O-ethyl 3-O-methyl 1,2,6-trimethyl-4-(3-nitrophenyl)-4H-pyridine-3,5-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

374.1478 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.155076 186.0
[M+Na]+ 397.137018 192.7
[M-H]- 373.140524 192.0
[M+NH4]+ 392.181623 196.3
[M+K]+ 413.110958 186.7
[M+H-H2O]+ 357.145060 181.8
[M+HCOO]- 419.146001 206.0
[M+CH3COO]- 433.161651 215.3
[M+Na-2H]- 395.122466 186.2
[M]+ 374.14725142 189.7
[M]- 374.14834858 189.7
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