CID 117725

Diethyl(2-(4-(2-ethoxybenzamido)benzoyloxy)ethyl)methylammonium iodide

Structural Information

Molecular Formula
C23H31N2O4
SMILES
CC[N+](C)(CC)CCOC(=O)C1=CC=C(C=C1)NC(=O)C2=CC=CC=C2OCC
InChI
InChI=1S/C23H30N2O4/c1-5-25(4,6-2)16-17-29-23(27)18-12-14-19(15-13-18)24-22(26)20-10-8-9-11-21(20)28-7-3/h8-15H,5-7,16-17H2,1-4H3/p+1
InChIKey
DBCXPWSPSKGCIG-UHFFFAOYSA-O
Compound name
2-[4-[(2-ethoxybenzoyl)amino]benzoyl]oxyethyl-diethyl-methylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

399.2284 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 400.23568 197.1
[M+Na]+ 422.21762 209.3
[M+NH4]+ 417.26222 203.6
[M+K]+ 438.19156 203.4
[M-H]- 398.22112 202.4
[M+Na-2H]- 420.20307 204.5
[M]+ 399.22785 200.6
[M]- 399.22895 200.6
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.