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]+ 353.207106 186.4
[M+Na]+ 375.189048 190.3
[M-H]- 351.192554 188.6
[M+NH4]+ 370.233653 194.6
[M+K]+ 391.162988 188.9
[M+H-H2O]+ 335.197090 177.1
[M+HCOO]- 397.198031 198.0
[M+CH3COO]- 411.213681 212.7
[M+Na-2H]- 373.174496 183.8
[M]+ 352.19928142 187.0
[M]- 352.20037858 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.