CID 38185

(5-benzoyl-5-phenylpentyl)triethylammonium iodide

Structural Information

Molecular Formula
C24H34NO
SMILES
CC[N+](CC)(CC)CCCCC(C1=CC=CC=C1)C(=O)C2=CC=CC=C2
InChI
InChI=1S/C24H34NO/c1-4-25(5-2,6-3)20-14-13-19-23(21-15-9-7-10-16-21)24(26)22-17-11-8-12-18-22/h7-12,15-18,23H,4-6,13-14,19-20H2,1-3H3/q+1
InChIKey
DKPYSNFRWOOHIQ-UHFFFAOYSA-N
Compound name
triethyl-(6-oxo-5,6-diphenylhexyl)azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

352.26404 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.27132 192.7
[M+Na]+ 375.25326 194.2
[M-H]- 351.25676 198.9
[M+NH4]+ 370.29786 205.2
[M+K]+ 391.22720 184.4
[M+H-H2O]+ 335.26130 186.2
[M+HCOO]- 397.26224 212.3
[M+CH3COO]- 411.27789 215.8
[M+Na-2H]- 373.23871 196.5
[M]+ 352.26349 193.6
[M]- 352.26459 193.6
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.