CID 202054

Ammonium, (3-(2-(alpha-hydroxy-alpha-phenylbenzyl)phenoxy)propyl)trimethyl-, toluenesulfonate

Structural Information

Molecular Formula
C25H30NO2
SMILES
C[N+](C)(C)CCCOC1=CC=CC=C1C(C2=CC=CC=C2)(C3=CC=CC=C3)O
InChI
InChI=1S/C25H30NO2/c1-26(2,3)19-12-20-28-24-18-11-10-17-23(24)25(27,21-13-6-4-7-14-21)22-15-8-5-9-16-22/h4-11,13-18,27H,12,19-20H2,1-3H3/q+1
InChIKey
LBUIQUYTAJAKMP-UHFFFAOYSA-N
Compound name
3-[2-[hydroxy(diphenyl)methyl]phenoxy]propyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

376.22766 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.23494 195.3
[M+Na]+ 399.21688 198.6
[M-H]- 375.22038 204.1
[M+NH4]+ 394.26148 206.0
[M+K]+ 415.19082 188.0
[M+H-H2O]+ 359.22492 188.2
[M+HCOO]- 421.22586 214.6
[M+CH3COO]- 435.24151 215.0
[M+Na-2H]- 397.20233 203.5
[M]+ 376.22711 195.1
[M]- 376.22821 195.1
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.