CID 216401

94266-05-4

Structural Information

Molecular Formula
C18H29NO4
SMILES
CCCC1C(=C(NC(=C1C(=O)OC(C)(C)C)C)C)C(=O)OCC
InChI
InChI=1S/C18H29NO4/c1-8-10-13-14(16(20)22-9-2)11(3)19-12(4)15(13)17(21)23-18(5,6)7/h13,19H,8-10H2,1-7H3
InChIKey
FYIUEUSBPGCPDI-UHFFFAOYSA-N
Compound name
5-O-tert-butyl 3-O-ethyl 2,6-dimethyl-4-propyl-1,4-dihydropyridine-3,5-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

323.20966 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.216936 178.4
[M+Na]+ 346.198878 184.7
[M-H]- 322.202384 179.3
[M+NH4]+ 341.243483 191.7
[M+K]+ 362.172818 182.6
[M+H-H2O]+ 306.206920 172.1
[M+HCOO]- 368.207861 193.5
[M+CH3COO]- 382.223511 210.3
[M+Na-2H]- 344.184326 176.6
[M]+ 323.20911142 182.9
[M]- 323.21020858 182.9
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.