CID 10199287

Nps r-467

Structural Information

Molecular Formula
C18H23NO
SMILES
C[C@H](C1=CC(=CC=C1)OC)NCCCC2=CC=CC=C2
InChI
InChI=1S/C18H23NO/c1-15(17-11-6-12-18(14-17)20-2)19-13-7-10-16-8-4-3-5-9-16/h3-6,8-9,11-12,14-15,19H,7,10,13H2,1-2H3/t15-/m1/s1
InChIKey
WOPAHKKTEVUGOE-OAHLLOKOSA-N
Compound name
N-[(1R)-1-(3-methoxyphenyl)ethyl]-3-phenylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

34
References

211
Patents

269.17798 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.18526 166.8
[M+Na]+ 292.16720 180.2
[M+NH4]+ 287.21180 175.6
[M+K]+ 308.14114 171.3
[M-H]- 268.17070 172.4
[M+Na-2H]- 290.15265 176.1
[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