CID 282663

21829-28-7

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

11
References

28
Patents

374.1478 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.15508 186.8
[M+Na]+ 397.13702 192.0
[M-H]- 373.14052 191.0
[M+NH4]+ 392.18162 196.1
[M+K]+ 413.11096 185.1
[M+H-H2O]+ 357.14506 182.6
[M+HCOO]- 419.14600 205.3
[M+CH3COO]- 433.16165 211.5
[M+Na-2H]- 395.12247 187.1
[M]+ 374.14725 188.2
[M]- 374.14835 188.2
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