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

5
Patents

339.21982 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.22710 184.5
[M+Na]+ 362.20904 187.3
[M-H]- 338.21254 192.8
[M+NH4]+ 357.25364 198.8
[M+K]+ 378.18298 183.5
[M+H-H2O]+ 322.21708 174.9
[M+HCOO]- 384.21802 203.5
[M+CH3COO]- 398.23367 214.5
[M+Na-2H]- 360.19449 186.4
[M]+ 339.21927 181.8
[M]- 339.22037 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