CID 216404

94266-08-7

Structural Information

Molecular Formula
C19H31NO4
SMILES
CCC1C(=C(NC(=C1C(=O)OC(C)(C)C)C)C)C(=O)OC(C)(C)C
InChI
InChI=1S/C19H31NO4/c1-10-13-14(16(21)23-18(4,5)6)11(2)20-12(3)15(13)17(22)24-19(7,8)9/h13,20H,10H2,1-9H3
InChIKey
ALNNWLSGANVQOZ-UHFFFAOYSA-N
Compound name
ditert-butyl 4-ethyl-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

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.232576 180.9
[M+Na]+ 360.214518 187.3
[M-H]- 336.218024 182.0
[M+NH4]+ 355.259123 193.9
[M+K]+ 376.188458 185.7
[M+H-H2O]+ 320.222560 175.4
[M+HCOO]- 382.223501 194.2
[M+CH3COO]- 396.239151 213.1
[M+Na-2H]- 358.199966 180.1
[M]+ 337.22475142 185.3
[M]- 337.22584858 185.3
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.