CID 44685

63765-86-6

Structural Information

Molecular Formula
C22H30NO
SMILES
CCC(=O)C(C1=CC=CC=C1)(C2=CC=CC=C2)C(C)C[N+](C)(C)C
InChI
InChI=1S/C22H30NO/c1-6-21(24)22(18(2)17-23(3,4)5,19-13-9-7-10-14-19)20-15-11-8-12-16-20/h7-16,18H,6,17H2,1-5H3/q+1
InChIKey
TWOAFDBNJDAODK-UHFFFAOYSA-N
Compound name
trimethyl-(2-methyl-4-oxo-3,3-diphenylhexyl)azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

324.23273 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.24001 180.4
[M+Na]+ 347.22195 194.4
[M+NH4]+ 342.26655 189.5
[M+K]+ 363.19589 187.8
[M-H]- 323.22545 186.6
[M+Na-2H]- 345.20740 190.3
[M]+ 324.23218 184.8
[M]- 324.23328 184.8
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.