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 199.4
[M+Na]+ 422.21762 202.2
[M-H]- 398.22112 206.5
[M+NH4]+ 417.26222 210.0
[M+K]+ 438.19156 194.1
[M+H-H2O]+ 382.22566 192.5
[M+HCOO]- 444.22660 221.1
[M+CH3COO]- 458.24225 223.5
[M+Na-2H]- 420.20307 203.5
[M]+ 399.22785 203.2
[M]- 399.22895 203.2
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.