CID 3050310

66170-21-6

Structural Information

Molecular Formula
C28H33NO2
SMILES
COC1=CC=CC(=C1)C2(CCCCC2CN(CC3=CC=CC=C3)CC4=CC=CC=C4)O
InChI
InChI=1S/C28H33NO2/c1-31-27-17-10-16-25(19-27)28(30)18-9-8-15-26(28)22-29(20-23-11-4-2-5-12-23)21-24-13-6-3-7-14-24/h2-7,10-14,16-17,19,26,30H,8-9,15,18,20-22H2,1H3
InChIKey
UUCCCVCIZKKOEK-UHFFFAOYSA-N
Compound name
2-[(dibenzylamino)methyl]-1-(3-methoxyphenyl)cyclohexan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

415.25113 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 416.25841 205.5
[M+Na]+ 438.24035 206.8
[M-H]- 414.24385 215.9
[M+NH4]+ 433.28495 215.7
[M+K]+ 454.21429 201.3
[M+H-H2O]+ 398.24839 193.4
[M+HCOO]- 460.24933 223.4
[M+CH3COO]- 474.26498 212.6
[M+Na-2H]- 436.22580 206.4
[M]+ 415.25058 201.8
[M]- 415.25168 201.8
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