CID 48334

Ammonium, (m-(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(=CC=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)16-11-10-12-17(13-16)24(5,6)7/h10-13,20H,8-9H2,1-7H3/p+1
InChIKey
SYBZMSAANGBTOC-UHFFFAOYSA-O
Compound name
[3-[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 194.0
[M+Na]+ 410.21762 199.6
[M-H]- 386.22112 199.7
[M+NH4]+ 405.26222 204.5
[M+K]+ 426.19156 191.2
[M+H-H2O]+ 370.22566 188.2
[M+HCOO]- 432.22660 211.0
[M+CH3COO]- 446.24225 219.8
[M+Na-2H]- 408.20307 195.5
[M]+ 387.22785 196.8
[M]- 387.22895 196.8
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.