CID 23722

(3-carbamoyl-3,3-diphenylpropyl)diethylmethylammonium iodide

Structural Information

Molecular Formula
C21H29N2O
SMILES
CC[N+](C)(CC)CCC(C1=CC=CC=C1)(C2=CC=CC=C2)C(=O)N
InChI
InChI=1S/C21H28N2O/c1-4-23(3,5-2)17-16-21(20(22)24,18-12-8-6-9-13-18)19-14-10-7-11-15-19/h6-15H,4-5,16-17H2,1-3H3,(H-,22,24)/p+1
InChIKey
LXVDFTOLOIKPCU-UHFFFAOYSA-O
Compound name
(4-amino-4-oxo-3,3-diphenylbutyl)-diethyl-methylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

325.228 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.23528 180.2
[M+Na]+ 348.21722 182.9
[M-H]- 324.22072 186.7
[M+NH4]+ 343.26182 193.5
[M+K]+ 364.19116 173.5
[M+H-H2O]+ 308.22526 174.6
[M+HCOO]- 370.22620 200.8
[M+CH3COO]- 384.24185 210.6
[M+Na-2H]- 346.20267 187.6
[M]+ 325.22745 178.6
[M]- 325.22855 178.6
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.