CID 1523958

104024-40-0

Structural Information

Molecular Formula
C23H24N2O7
SMILES
CCOC(=O)C1=C(NC(=C(C1C2=CC=C(O2)C3=CC=CC=C3[N+](=O)[O-])C(=O)OCC)C)C
InChI
InChI=1S/C23H24N2O7/c1-5-30-22(26)19-13(3)24-14(4)20(23(27)31-6-2)21(19)18-12-11-17(32-18)15-9-7-8-10-16(15)25(28)29/h7-12,21,24H,5-6H2,1-4H3
InChIKey
MLOXWFJWKSNEFB-UHFFFAOYSA-N
Compound name
diethyl 2,6-dimethyl-4-[5-(2-nitrophenyl)furan-2-yl]-1,4-dihydropyridine-3,5-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

440.15836 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 441.16564 205.6
[M+Na]+ 463.14758 210.2
[M-H]- 439.15108 214.0
[M+NH4]+ 458.19218 212.1
[M+K]+ 479.12152 203.9
[M+H-H2O]+ 423.15562 200.7
[M+HCOO]- 485.15656 223.8
[M+CH3COO]- 499.17221 223.1
[M+Na-2H]- 461.13303 204.4
[M]+ 440.15781 208.7
[M]- 440.15891 208.7
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

No patent data available for this compound.