CID 48489

66941-31-9

Structural Information

Molecular Formula
C23H33N2O4
SMILES
CCCC[N+](C)(C)C1=CC=C(C=C1)C2C(=C(NC(=C2C(=O)OC)C)C)C(=O)OC
InChI
InChI=1S/C23H32N2O4/c1-8-9-14-25(4,5)18-12-10-17(11-13-18)21-19(22(26)28-6)15(2)24-16(3)20(21)23(27)29-7/h10-13,21H,8-9,14H2,1-7H3/p+1
InChIKey
KAVQKJRRLKOHSS-UHFFFAOYSA-O
Compound name
[4-[3,5-bis(methoxycarbonyl)-2,6-dimethyl-1,4-dihydropyridin-4-yl]phenyl]-butyl-dimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

401.24402 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 402.25130 197.9
[M+Na]+ 424.23324 210.7
[M+NH4]+ 419.27784 203.7
[M+K]+ 440.20718 206.0
[M-H]- 400.23674 201.6
[M+Na-2H]- 422.21869 203.0
[M]+ 401.24347 201.0
[M]- 401.24457 201.0
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.