CID 40016

(2-(4-(2-allyloxybenzamido)benzoyloxy)ethyl)diethylmethylammonium bromide

Structural Information

Molecular Formula
C24H31N2O4
SMILES
CC[N+](C)(CC)CCOC(=O)C1=CC=C(C=C1)NC(=O)C2=CC=CC=C2OCC=C
InChI
InChI=1S/C24H30N2O4/c1-5-17-29-22-11-9-8-10-21(22)23(27)25-20-14-12-19(13-15-20)24(28)30-18-16-26(4,6-2)7-3/h5,8-15H,1,6-7,16-18H2,2-4H3/p+1
InChIKey
QWKJIBSGBLEGFK-UHFFFAOYSA-O
Compound name
diethyl-methyl-[2-[4-[(2-prop-2-enoxybenzoyl)amino]benzoyl]oxyethyl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

411.2284 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 412.23568 202.8
[M+Na]+ 434.21762 205.4
[M-H]- 410.22112 209.7
[M+NH4]+ 429.26222 212.8
[M+K]+ 450.19156 196.6
[M+H-H2O]+ 394.22566 195.8
[M+HCOO]- 456.22660 224.4
[M+CH3COO]- 470.24225 225.6
[M+Na-2H]- 432.20307 206.4
[M]+ 411.22785 206.2
[M]- 411.22895 206.2
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.