CID 57906

Brn 3406307

Structural Information

Molecular Formula
C20H27NO2
SMILES
CCC(CO)NCCCC1=CC=C(C=C1)COC2=CC=CC=C2
InChI
InChI=1S/C20H27NO2/c1-2-19(15-22)21-14-6-7-17-10-12-18(13-11-17)16-23-20-8-4-3-5-9-20/h3-5,8-13,19,21-22H,2,6-7,14-16H2,1H3
InChIKey
JSEBUQPWKWPIBC-UHFFFAOYSA-N
Compound name
2-[3-[4-(phenoxymethyl)phenyl]propylamino]butan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

313.2042 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.21148 179.5
[M+Na]+ 336.19342 191.4
[M+NH4]+ 331.23802 186.9
[M+K]+ 352.16736 182.9
[M-H]- 312.19692 183.9
[M+Na-2H]- 334.17887 187.1
[M]+ 313.20365 182.4
[M]- 313.20475 182.4
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.