CID 40014

Diethylmethyl(2-(4-(2-propoxybenzamido)benzoyloxy)ethyl)ammonium bromide

Structural Information

Molecular Formula
C24H33N2O4
SMILES
CCCOC1=CC=CC=C1C(=O)NC2=CC=C(C=C2)C(=O)OCC[N+](C)(CC)CC
InChI
InChI=1S/C24H32N2O4/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/h8-15H,5-7,16-18H2,1-4H3/p+1
InChIKey
YRYLDDNYAODQOI-UHFFFAOYSA-O
Compound name
diethyl-methyl-[2-[4-[(2-propoxybenzoyl)amino]benzoyl]oxyethyl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

413.24402 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 414.25130 204.0
[M+Na]+ 436.23324 206.4
[M-H]- 412.23674 211.0
[M+NH4]+ 431.27784 214.0
[M+K]+ 452.20718 198.1
[M+H-H2O]+ 396.24128 196.9
[M+HCOO]- 458.24222 225.4
[M+CH3COO]- 472.25787 226.5
[M+Na-2H]- 434.21869 207.6
[M]+ 413.24347 208.2
[M]- 413.24457 208.2
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.