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]+ 337.212176 182.5
[M+Na]+ 359.194118 186.4
[M-H]- 335.197624 183.3
[M+NH4]+ 354.238723 193.9
[M+K]+ 375.168058 183.3
[M+H-H2O]+ 319.202160 174.8
[M+HCOO]- 381.203101 194.5
[M+CH3COO]- 395.218751 208.9
[M+Na-2H]- 357.179566 176.1
[M]+ 336.20435142 180.9
[M]- 336.20544858 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.