CID 2377

Bifemelane

Structural Information

Molecular Formula
C18H23NO
SMILES
CNCCCCOC1=CC=CC=C1CC2=CC=CC=C2
InChI
InChI=1S/C18H23NO/c1-19-13-7-8-14-20-18-12-6-5-11-17(18)15-16-9-3-2-4-10-16/h2-6,9-12,19H,7-8,13-15H2,1H3
InChIKey
QSQQPMHPCBLLGX-UHFFFAOYSA-N
Compound name
4-(2-benzylphenoxy)-N-methylbutan-1-amine
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

117
References

2825
Patents

269.17798 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.18526 166.7
[M+Na]+ 292.16720 180.6
[M+NH4]+ 287.21180 175.7
[M+K]+ 308.14114 170.8
[M-H]- 268.17070 172.5
[M+Na-2H]- 290.15265 176.4
[M]+ 269.17743 170.4
[M]- 269.17853 170.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe