CID 59506

102571-24-4

Structural Information

Molecular Formula
C24H36NO
SMILES
CC(C)[N+](C)(CCOCCC(C1=CC=CC=C1)C2=CC=CC=C2)C(C)C
InChI
InChI=1S/C24H36NO/c1-20(2)25(5,21(3)4)17-19-26-18-16-24(22-12-8-6-9-13-22)23-14-10-7-11-15-23/h6-15,20-21,24H,16-19H2,1-5H3/q+1
InChIKey
ZIPSBGBRLIOWSB-UHFFFAOYSA-N
Compound name
2-(3,3-diphenylpropoxy)ethyl-methyl-di(propan-2-yl)azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

354.2797 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.28698 193.3
[M+Na]+ 377.26892 194.3
[M-H]- 353.27242 199.5
[M+NH4]+ 372.31352 205.7
[M+K]+ 393.24286 185.6
[M+H-H2O]+ 337.27696 186.9
[M+HCOO]- 399.27790 211.7
[M+CH3COO]- 413.29355 217.5
[M+Na-2H]- 375.25437 195.9
[M]+ 354.27915 194.3
[M]- 354.28025 194.3
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.