CID 71452041

Hs665

Structural Information

Molecular Formula
C21H27NO
SMILES
C1CC(C1)CN(CCC2=CC=CC=C2)CCC3=CC(=CC=C3)O
InChI
InChI=1S/C21H27NO/c23-21-11-5-8-19(16-21)13-15-22(17-20-9-4-10-20)14-12-18-6-2-1-3-7-18/h1-3,5-8,11,16,20,23H,4,9-10,12-15,17H2
InChIKey
YNVKFHIWFDRVNY-UHFFFAOYSA-N
Compound name
3-[2-[cyclobutylmethyl(2-phenylethyl)amino]ethyl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

11
Patents

309.20926 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.216536 174.3
[M+Na]+ 332.198478 176.1
[M-H]- 308.201984 182.1
[M+NH4]+ 327.243083 181.6
[M+K]+ 348.172418 174.9
[M+H-H2O]+ 292.206520 159.5
[M+HCOO]- 354.207461 194.6
[M+CH3COO]- 368.223111 212.5
[M+Na-2H]- 330.183926 176.6
[M]+ 309.20871142 181.8
[M]- 309.20980858 181.8
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

No patent data available for this compound.