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 203.4
[M+Na]+ 438.24889 208.0
[M-H]- 414.25239 208.6
[M+NH4]+ 433.29349 212.6
[M+K]+ 454.22283 199.2
[M+H-H2O]+ 398.25693 197.1
[M+HCOO]- 460.25787 219.6
[M+CH3COO]- 474.27352 225.7
[M+Na-2H]- 436.23434 203.8
[M]+ 415.25912 206.8
[M]- 415.26022 206.8
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.