CID 3039972

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

Structural Information

Molecular Formula
C28H33N2O4
SMILES
CC[N+](C)(CC)CCOC(=O)C1=CC=C(C=C1)NC(=O)C2=CC=CC=C2OCC3=CC=CC=C3
InChI
InChI=1S/C28H32N2O4/c1-4-30(3,5-2)19-20-33-28(32)23-15-17-24(18-16-23)29-27(31)25-13-9-10-14-26(25)34-21-22-11-7-6-8-12-22/h6-18H,4-5,19-21H2,1-3H3/p+1
InChIKey
FEKJPBJNOFDJFU-UHFFFAOYSA-O
Compound name
diethyl-methyl-[2-[4-[(2-phenylmethoxybenzoyl)amino]benzoyl]oxyethyl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

461.24402 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 462.25130 214.6
[M+Na]+ 484.23324 228.5
[M+NH4]+ 479.27784 221.3
[M+K]+ 500.20718 221.0
[M-H]- 460.23674 222.5
[M+Na-2H]- 482.21869 224.7
[M]+ 461.24347 219.2
[M]- 461.24457 219.2
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.