CID 2756619

Ac1mbtzl

Structural Information

Molecular Formula
C21H27N
SMILES
CC(C1=CC=C(C=C1)C2CCCCC2)NCC3=CC=CC=C3
InChI
InChI=1S/C21H27N/c1-17(22-16-18-8-4-2-5-9-18)19-12-14-21(15-13-19)20-10-6-3-7-11-20/h2,4-5,8-9,12-15,17,20,22H,3,6-7,10-11,16H2,1H3
InChIKey
HZAOWLFEAUTGPQ-UHFFFAOYSA-N
Compound name
N-benzyl-1-(4-cyclohexylphenyl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

293.21436 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.221636 172.5
[M+Na]+ 316.203578 174.0
[M-H]- 292.207084 180.1
[M+NH4]+ 311.248183 186.4
[M+K]+ 332.177518 168.7
[M+H-H2O]+ 276.211620 163.0
[M+HCOO]- 338.212561 191.5
[M+CH3COO]- 352.228211 181.6
[M+Na-2H]- 314.189026 174.7
[M]+ 293.21381142 165.9
[M]- 293.21490858 165.9
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.