CID 66940105

(3r)-n-methyl-3-(3-methylphenoxy)-3-phenylpropan-1-amine hydrochloride

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

17
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 161.1
[M+Na]+ 278.15153 166.2
[M-H]- 254.15503 167.2
[M+NH4]+ 273.19613 177.5
[M+K]+ 294.12547 162.5
[M+H-H2O]+ 238.15957 153.0
[M+HCOO]- 300.16051 184.7
[M+CH3COO]- 314.17616 199.9
[M+Na-2H]- 276.13698 166.0
[M]+ 255.16176 161.7
[M]- 255.16286 161.7
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