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]+ 294.22164 172.5
[M+Na]+ 316.20358 174.0
[M-H]- 292.20708 180.1
[M+NH4]+ 311.24818 186.4
[M+K]+ 332.17752 168.7
[M+H-H2O]+ 276.21162 163.0
[M+HCOO]- 338.21256 191.5
[M+CH3COO]- 352.22821 181.6
[M+Na-2H]- 314.18903 174.7
[M]+ 293.21381 165.9
[M]- 293.21491 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.