CID 202599

2-(3-(dipropylamino)propoxy)benzhydrol methyl toluenesulfonate

Structural Information

Molecular Formula
C23H34NO2
SMILES
CCC[N+](C)(CCC)CCCOC1=CC=CC=C1C(C2=CC=CC=C2)O
InChI
InChI=1S/C23H34NO2/c1-4-16-24(3,17-5-2)18-11-19-26-22-15-10-9-14-21(22)23(25)20-12-7-6-8-13-20/h6-10,12-15,23,25H,4-5,11,16-19H2,1-3H3/q+1
InChIKey
ZEIQYFLTVWKQIP-UHFFFAOYSA-N
Compound name
3-[2-[hydroxy(phenyl)methyl]phenoxy]propyl-methyl-dipropylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

356.25894 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.26622 192.4
[M+Na]+ 379.24816 194.8
[M-H]- 355.25166 197.8
[M+NH4]+ 374.29276 204.5
[M+K]+ 395.22210 185.1
[M+H-H2O]+ 339.25620 186.2
[M+HCOO]- 401.25714 211.9
[M+CH3COO]- 415.27279 213.4
[M+Na-2H]- 377.23361 197.0
[M]+ 356.25839 194.3
[M]- 356.25949 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.