CID 48495

Ammonium, (p-(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=C(C=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)14-8-10-15(11-9-14)22(3,4)5/h8-11,18H,1-7H3/p+1
InChIKey
LHLLWFHDKKYPHL-UHFFFAOYSA-O
Compound name
[4-[3,5-bis(methoxycarbonyl)-2,6-dimethyl-1,4-dihydropyridin-4-yl]phenyl]-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
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 184.6
[M+Na]+ 382.18630 191.1
[M-H]- 358.18980 190.7
[M+NH4]+ 377.23090 196.2
[M+K]+ 398.16024 183.1
[M+H-H2O]+ 342.19434 179.3
[M+HCOO]- 404.19528 202.3
[M+CH3COO]- 418.21093 213.9
[M+Na-2H]- 380.17175 187.2
[M]+ 359.19653 186.8
[M]- 359.19763 186.8
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.