CID 48491

66941-32-0

Structural Information

Molecular Formula
C24H35N2O4
SMILES
CCCCC[N+](C)(C)C1=CC=C(C=C1)C2C(=C(NC(=C2C(=O)OC)C)C)C(=O)OC
InChI
InChI=1S/C24H34N2O4/c1-8-9-10-15-26(4,5)19-13-11-18(12-14-19)22-20(23(27)29-6)16(2)25-17(3)21(22)24(28)30-7/h11-14,22H,8-10,15H2,1-7H3/p+1
InChIKey
BDLFANBROPMCOJ-UHFFFAOYSA-O
Compound name
[4-[3,5-bis(methoxycarbonyl)-2,6-dimethyl-1,4-dihydropyridin-4-yl]phenyl]-dimethyl-pentylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

415.25967 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 416.26695 202.3
[M+Na]+ 438.24889 215.0
[M+NH4]+ 433.29349 207.9
[M+K]+ 454.22283 209.9
[M-H]- 414.25239 206.0
[M+Na-2H]- 436.23434 207.2
[M]+ 415.25912 205.4
[M]- 415.26022 205.4
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.