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]+ 401.24348 200.0
[M+Na]+ 423.22542 202.5
[M-H]- 399.22892 201.8
[M+NH4]+ 418.27002 207.8
[M+K]+ 439.19936 198.9
[M+H-H2O]+ 383.23346 191.1
[M+HCOO]- 445.23440 213.7
[M+CH3COO]- 459.25005 226.7
[M+Na-2H]- 421.21087 194.6
[M]+ 400.23565 200.3
[M]- 400.23675 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.