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]+ 326.235276 180.2
[M+Na]+ 348.217218 182.9
[M-H]- 324.220724 186.7
[M+NH4]+ 343.261823 193.5
[M+K]+ 364.191158 173.5
[M+H-H2O]+ 308.225260 174.6
[M+HCOO]- 370.226201 200.8
[M+CH3COO]- 384.241851 210.6
[M+Na-2H]- 346.202666 187.6
[M]+ 325.22745142 178.6
[M]- 325.22854858 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.