CID 33308

(2-(4-(2-butoxybenzamido)benzoyloxy)ethyl)diethylmethylammonium iodide

Structural Information

Molecular Formula
C25H35N2O4
SMILES
CCCCOC1=CC=CC=C1C(=O)NC2=CC=C(C=C2)C(=O)OCC[N+](C)(CC)CC
InChI
InChI=1S/C25H34N2O4/c1-5-8-18-30-23-12-10-9-11-22(23)24(28)26-21-15-13-20(14-16-21)25(29)31-19-17-27(4,6-2)7-3/h9-16H,5-8,17-19H2,1-4H3/p+1
InChIKey
WHMYZMFFIRPHKS-UHFFFAOYSA-O
Compound name
2-[4-[(2-butoxybenzoyl)amino]benzoyl]oxyethyl-diethyl-methylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

427.25967 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 428.26695 208.6
[M+Na]+ 450.24889 210.5
[M-H]- 426.25239 215.4
[M+NH4]+ 445.29349 218.0
[M+K]+ 466.22283 202.1
[M+H-H2O]+ 410.25693 201.3
[M+HCOO]- 472.25787 229.7
[M+CH3COO]- 486.27352 229.4
[M+Na-2H]- 448.23434 211.7
[M]+ 427.25912 213.1
[M]- 427.26022 213.1
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.