CID 3039974

Diethylmethyl(2-(4-(2-(3-phenylpropoxy)benzamido)benzoyloxy)ethyl)ammonium bromide

Structural Information

Molecular Formula
C30H37N2O4
SMILES
CC[N+](C)(CC)CCOC(=O)C1=CC=C(C=C1)NC(=O)C2=CC=CC=C2OCCCC3=CC=CC=C3
InChI
InChI=1S/C30H36N2O4/c1-4-32(3,5-2)21-23-36-30(34)25-17-19-26(20-18-25)31-29(33)27-15-9-10-16-28(27)35-22-11-14-24-12-7-6-8-13-24/h6-10,12-13,15-20H,4-5,11,14,21-23H2,1-3H3/p+1
InChIKey
IZNDWZBQDPOXGX-UHFFFAOYSA-O
Compound name
diethyl-methyl-[2-[4-[[2-(3-phenylpropoxy)benzoyl]amino]benzoyl]oxyethyl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

489.27533 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 490.28261 223.5
[M+Na]+ 512.26455 236.9
[M+NH4]+ 507.30915 229.9
[M+K]+ 528.23849 229.0
[M-H]- 488.26805 231.3
[M+Na-2H]- 510.25000 233.0
[M]+ 489.27478 228.0
[M]- 489.27588 228.0
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.