CID 12360398

102206-51-9

Structural Information

Molecular Formula
C18H28N2O5
SMILES
CCOC(=O)C1=C(NC(=C(C1C)C(=O)OCCN2CCOCC2)C)C
InChI
InChI=1S/C18H28N2O5/c1-5-24-17(21)15-12(2)16(14(4)19-13(15)3)18(22)25-11-8-20-6-9-23-10-7-20/h12,19H,5-11H2,1-4H3
InChIKey
ODCOGBXDPYKALM-UHFFFAOYSA-N
Compound name
3-O-ethyl 5-O-(2-morpholin-4-ylethyl) 2,4,6-trimethyl-1,4-dihydropyridine-3,5-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

352.19983 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.20711 186.4
[M+Na]+ 375.18905 190.3
[M-H]- 351.19255 188.6
[M+NH4]+ 370.23365 194.6
[M+K]+ 391.16299 188.9
[M+H-H2O]+ 335.19709 177.1
[M+HCOO]- 397.19803 198.0
[M+CH3COO]- 411.21368 212.7
[M+Na-2H]- 373.17450 183.8
[M]+ 352.19928 187.0
[M]- 352.20038 187.0
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.