CID 66940105

1643684-05-2

Structural Information

Molecular Formula
C17H21NO
SMILES
CC1=CC(=CC=C1)O[C@H](CCNC)C2=CC=CC=C2
InChI
InChI=1S/C17H21NO/c1-14-7-6-10-16(13-14)19-17(11-12-18-2)15-8-4-3-5-9-15/h3-10,13,17-18H,11-12H2,1-2H3/t17-/m1/s1
InChIKey
JJKJMPPFRLCYEB-QGZVFWFLSA-N
Compound name
(3R)-N-methyl-3-(3-methylphenoxy)-3-phenylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

255.16231 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.16959 162.2
[M+Na]+ 278.15153 175.9
[M+NH4]+ 273.19613 171.2
[M+K]+ 294.12547 167.2
[M-H]- 254.15503 167.8
[M+Na-2H]- 276.13698 171.8
[M]+ 255.16176 165.8
[M]- 255.16286 165.8
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

patents stripe