CID 20129923

93413-61-7

Structural Information

Molecular Formula
C23H31NO2
SMILES
CN(C)CC(C1=CC=C(C=C1)OCC2=CC=CC=C2)C3(CCCCC3)O
InChI
InChI=1S/C23H31NO2/c1-24(2)17-22(23(25)15-7-4-8-16-23)20-11-13-21(14-12-20)26-18-19-9-5-3-6-10-19/h3,5-6,9-14,22,25H,4,7-8,15-18H2,1-2H3
InChIKey
FSSWQHLSQWTHIB-UHFFFAOYSA-N
Compound name
1-[2-(dimethylamino)-1-(4-phenylmethoxyphenyl)ethyl]cyclohexan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

51
Patents

353.23547 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.24275 189.2
[M+Na]+ 376.22469 190.3
[M-H]- 352.22819 196.9
[M+NH4]+ 371.26929 202.5
[M+K]+ 392.19863 186.9
[M+H-H2O]+ 336.23273 179.4
[M+HCOO]- 398.23367 206.8
[M+CH3COO]- 412.24932 217.1
[M+Na-2H]- 374.21014 190.1
[M]+ 353.23492 185.9
[M]- 353.23602 185.9
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