CID 37704

Phenethylamine, n-cyclohexyl-2-hydroxy-n-phenethyl-, hydrochloride

Structural Information

Molecular Formula
C22H29NO
SMILES
C1CCC(CC1)N(CCC2=CC=CC=C2)CC(C3=CC=CC=C3)O
InChI
InChI=1S/C22H29NO/c24-22(20-12-6-2-7-13-20)18-23(21-14-8-3-9-15-21)17-16-19-10-4-1-5-11-19/h1-2,4-7,10-13,21-22,24H,3,8-9,14-18H2
InChIKey
OWRLXGJBTXMFLE-UHFFFAOYSA-N
Compound name
2-[cyclohexyl(2-phenylethyl)amino]-1-phenylethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

323.2249 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.23218 180.4
[M+Na]+ 346.21412 180.0
[M-H]- 322.21762 187.4
[M+NH4]+ 341.25872 192.5
[M+K]+ 362.18806 175.6
[M+H-H2O]+ 306.22216 170.4
[M+HCOO]- 368.22310 198.1
[M+CH3COO]- 382.23875 211.5
[M+Na-2H]- 344.19957 181.5
[M]+ 323.22435 174.5
[M]- 323.22545 174.5
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.