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

21
Patents

415.25113 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 416.258406 205.5
[M+Na]+ 438.240348 206.8
[M-H]- 414.243854 215.9
[M+NH4]+ 433.284953 215.7
[M+K]+ 454.214288 201.3
[M+H-H2O]+ 398.248390 193.4
[M+HCOO]- 460.249331 223.4
[M+CH3COO]- 474.264981 212.6
[M+Na-2H]- 436.225796 206.4
[M]+ 415.25058142 201.8
[M]- 415.25167858 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