CID 3056579

Brn 2887966

Structural Information

Molecular Formula
C22H29NO2
SMILES
CN(CC1CCCCC1(C2=CC(=CC=C2)OC)O)CC3=CC=CC=C3
InChI
InChI=1S/C22H29NO2/c1-23(16-18-9-4-3-5-10-18)17-20-11-6-7-14-22(20,24)19-12-8-13-21(15-19)25-2/h3-5,8-10,12-13,15,20,24H,6-7,11,14,16-17H2,1-2H3
InChIKey
BDLHYNRDCFWMAA-UHFFFAOYSA-N
Compound name
2-[[benzyl(methyl)amino]methyl]-1-(3-methoxyphenyl)cyclohexan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

339.21982 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.227096 184.5
[M+Na]+ 362.209038 187.3
[M-H]- 338.212544 192.8
[M+NH4]+ 357.253643 198.8
[M+K]+ 378.182978 183.5
[M+H-H2O]+ 322.217080 174.9
[M+HCOO]- 384.218021 203.5
[M+CH3COO]- 398.233671 214.5
[M+Na-2H]- 360.194486 186.4
[M]+ 339.21927142 181.8
[M]- 339.22036858 181.8
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