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]+ 375.15508 186.0
[M+Na]+ 397.13702 192.7
[M-H]- 373.14052 192.0
[M+NH4]+ 392.18162 196.3
[M+K]+ 413.11096 186.7
[M+H-H2O]+ 357.14506 181.8
[M+HCOO]- 419.14600 206.0
[M+CH3COO]- 433.16165 215.3
[M+Na-2H]- 395.12247 186.2
[M]+ 374.14725 189.7
[M]- 374.14835 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