CID 48493

Ammonium, (m-(1,4-dihydro-3,5-dimethoxycarbonyl-2,6-dimethyl-4-pyridyl)phenyl)trimethyl-, iodide

Structural Information

Molecular Formula
C20H27N2O4
SMILES
CC1=C(C(C(=C(N1)C)C(=O)OC)C2=CC(=CC=C2)[N+](C)(C)C)C(=O)OC
InChI
InChI=1S/C20H26N2O4/c1-12-16(19(23)25-6)18(17(13(2)21-12)20(24)26-7)14-9-8-10-15(11-14)22(3,4)5/h8-11,18H,1-7H3/p+1
InChIKey
LTTKQCKOSVANLF-UHFFFAOYSA-O
Compound name
[3-[3,5-bis(methoxycarbonyl)-2,6-dimethyl-1,4-dihydropyridin-4-yl]phenyl]-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

359.19708 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 360.20436 184.5
[M+Na]+ 382.18630 198.0
[M+NH4]+ 377.23090 190.8
[M+K]+ 398.16024 194.0
[M-H]- 358.18980 188.3
[M+Na-2H]- 380.17175 190.5
[M]+ 359.19653 187.8
[M]- 359.19763 187.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.