CID 3049744

65193-76-2

Structural Information

Molecular Formula
C23H32N2O4
SMILES
CCC(CNC(C)CC1=CC=CC=C1)OC(=O)C2=C(NC(=C(C2C)C(=O)O)C)C
InChI
InChI=1S/C23H32N2O4/c1-6-19(13-24-14(2)12-18-10-8-7-9-11-18)29-23(28)21-15(3)20(22(26)27)16(4)25-17(21)5/h7-11,14-15,19,24-25H,6,12-13H2,1-5H3,(H,26,27)
InChIKey
IYZXYZFKSYMKEY-UHFFFAOYSA-N
Compound name
2,4,6-trimethyl-5-[1-(1-phenylpropan-2-ylamino)butan-2-yloxycarbonyl]-1,4-dihydropyridine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

400.2362 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 401.243476 200.0
[M+Na]+ 423.225418 202.5
[M-H]- 399.228924 201.8
[M+NH4]+ 418.270023 207.8
[M+K]+ 439.199358 198.9
[M+H-H2O]+ 383.233460 191.1
[M+HCOO]- 445.234401 213.7
[M+CH3COO]- 459.250051 226.7
[M+Na-2H]- 421.210866 194.6
[M]+ 400.23565142 200.3
[M]- 400.23674858 200.3
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.