CID 3049983

65445-78-5

Structural Information

Molecular Formula
C21H27N
SMILES
CN(C)CC1CCCC(C1)(C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C21H27N/c1-22(2)17-18-10-9-15-21(16-18,19-11-5-3-6-12-19)20-13-7-4-8-14-20/h3-8,11-14,18H,9-10,15-17H2,1-2H3
InChIKey
VRILZRRYJSARCQ-UHFFFAOYSA-N
Compound name
1-(3,3-diphenylcyclohexyl)-N,N-dimethylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

293.21436 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.221636 173.4
[M+Na]+ 316.203578 176.4
[M-H]- 292.207084 182.9
[M+NH4]+ 311.248183 190.1
[M+K]+ 332.177518 172.3
[M+H-H2O]+ 276.211620 163.8
[M+HCOO]- 338.212561 193.9
[M+CH3COO]- 352.228211 183.6
[M+Na-2H]- 314.189026 176.8
[M]+ 293.21381142 169.0
[M]- 293.21490858 169.0
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

No patent data available for this compound.