CID 216400

94266-04-3

Structural Information

Molecular Formula
C19H31NO4
SMILES
CCCCC1C(=C(NC(=C1C(=O)OC(C)(C)C)C)C)C(=O)OCC
InChI
InChI=1S/C19H31NO4/c1-8-10-11-14-15(17(21)23-9-2)12(3)20-13(4)16(14)18(22)24-19(5,6)7/h14,20H,8-11H2,1-7H3
InChIKey
PRGMGHRCXVBSGZ-UHFFFAOYSA-N
Compound name
5-O-tert-butyl 3-O-ethyl 4-butyl-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

337.2253 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.232576 183.0
[M+Na]+ 360.214518 188.9
[M-H]- 336.218024 183.7
[M+NH4]+ 355.259123 195.7
[M+K]+ 376.188458 186.6
[M+H-H2O]+ 320.222560 176.5
[M+HCOO]- 382.223501 197.8
[M+CH3COO]- 396.239151 213.2
[M+Na-2H]- 358.199966 180.7
[M]+ 337.22475142 187.9
[M]- 337.22584858 187.9
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.