CID 3041725

Benzyl alcohol, 4-(cyclohexylthio)-alpha-(1-(octylamino)ethyl)-, hydrochloride

Structural Information

Molecular Formula
C23H39NOS
SMILES
CCCCCCCCNC(C)C(C1=CC=C(C=C1)SC2CCCCC2)O
InChI
InChI=1S/C23H39NOS/c1-3-4-5-6-7-11-18-24-19(2)23(25)20-14-16-22(17-15-20)26-21-12-9-8-10-13-21/h14-17,19,21,23-25H,3-13,18H2,1-2H3
InChIKey
CPQOZQCVFXWTOW-UHFFFAOYSA-N
Compound name
1-(4-cyclohexylsulfanylphenyl)-2-(octylamino)propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

377.27524 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.28252 195.6
[M+Na]+ 400.26446 194.2
[M-H]- 376.26796 197.7
[M+NH4]+ 395.30906 206.4
[M+K]+ 416.23840 188.5
[M+H-H2O]+ 360.27250 186.8
[M+HCOO]- 422.27344 205.1
[M+CH3COO]- 436.28909 220.6
[M+Na-2H]- 398.24991 190.6
[M]+ 377.27469 193.8
[M]- 377.27579 193.8
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

patents stripe