CID 3049780

65238-77-9

Structural Information

Molecular Formula
C18H28N2O4
SMILES
CCC(CN1CCCC1)OC(=O)C2=C(NC(=C(C2C)C(=O)O)C)C
InChI
InChI=1S/C18H28N2O4/c1-5-14(10-20-8-6-7-9-20)24-18(23)16-11(2)15(17(21)22)12(3)19-13(16)4/h11,14,19H,5-10H2,1-4H3,(H,21,22)
InChIKey
VSKYHFQXQVQNGV-UHFFFAOYSA-N
Compound name
2,4,6-trimethyl-5-(1-pyrrolidin-1-ylbutan-2-yloxycarbonyl)-1,4-dihydropyridine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

336.2049 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.21218 182.5
[M+Na]+ 359.19412 186.4
[M-H]- 335.19762 183.3
[M+NH4]+ 354.23872 193.9
[M+K]+ 375.16806 183.3
[M+H-H2O]+ 319.20216 174.8
[M+HCOO]- 381.20310 194.5
[M+CH3COO]- 395.21875 208.9
[M+Na-2H]- 357.17957 176.1
[M]+ 336.20435 180.9
[M]- 336.20545 180.9
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.