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

213
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 165.7
[M+Na]+ 292.16720 170.3
[M-H]- 268.17070 171.6
[M+NH4]+ 287.21180 181.5
[M+K]+ 308.14114 166.4
[M+H-H2O]+ 252.17524 157.4
[M+HCOO]- 314.17618 189.0
[M+CH3COO]- 328.19183 202.9
[M+Na-2H]- 290.15265 170.0
[M]+ 269.17743 166.6
[M]- 269.17853 166.6
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