CID 48485

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

Structural Information

Molecular Formula
C22H31N2O4
SMILES
CCOC(=O)C1=C(NC(=C(C1C2=CC=C(C=C2)[N+](C)(C)C)C(=O)OCC)C)C
InChI
InChI=1S/C22H30N2O4/c1-8-27-21(25)18-14(3)23-15(4)19(22(26)28-9-2)20(18)16-10-12-17(13-11-16)24(5,6)7/h10-13,20H,8-9H2,1-7H3/p+1
InChIKey
ALVOQHRTRSXPBA-UHFFFAOYSA-O
Compound name
[4-[3,5-bis(ethoxycarbonyl)-2,6-dimethyl-1,4-dihydropyridin-4-yl]phenyl]-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

387.2284 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 388.23568 193.4
[M+Na]+ 410.21762 206.5
[M+NH4]+ 405.26222 199.4
[M+K]+ 426.19156 202.0
[M-H]- 386.22112 197.2
[M+Na-2H]- 408.20307 198.8
[M]+ 387.22785 196.6
[M]- 387.22895 196.6
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.