CID 3050671

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

Structural Information

Molecular Formula
C25H37N2O4
SMILES
CC[N+](CC)(CC)C1=CC=CC(=C1)C2C(=C(NC(=C2C(=O)OCC)C)C)C(=O)OCC
InChI
InChI=1S/C25H36N2O4/c1-8-27(9-2,10-3)20-15-13-14-19(16-20)23-21(24(28)30-11-4)17(6)26-18(7)22(23)25(29)31-12-5/h13-16,23H,8-12H2,1-7H3/p+1
InChIKey
IQYACKWTJWOHKU-UHFFFAOYSA-O
Compound name
[3-[3,5-bis(ethoxycarbonyl)-2,6-dimethyl-1,4-dihydropyridin-4-yl]phenyl]-triethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

429.27533 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 430.28261 206.7
[M+Na]+ 452.26455 219.2
[M+NH4]+ 447.30915 212.2
[M+K]+ 468.23849 213.9
[M-H]- 428.26805 210.3
[M+Na-2H]- 450.25000 211.3
[M]+ 429.27478 209.8
[M]- 429.27588 209.8
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.