CID 154699717

Ns00117457

Structural Information

Molecular Formula
C17H21NO2
SMILES
CC1=CC=CC=C1O[C@H](CCNCO)C2=CC=CC=C2
InChI
InChI=1S/C17H21NO2/c1-14-7-5-6-10-16(14)20-17(11-12-18-13-19)15-8-3-2-4-9-15/h2-10,17-19H,11-13H2,1H3/t17-/m1/s1
InChIKey
JQNRSAPXUBOGPP-QGZVFWFLSA-N
Compound name
[[(3R)-3-(2-methylphenoxy)-3-phenylpropyl]amino]methanol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

271.15723 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.164506 164.4
[M+Na]+ 294.146448 168.9
[M-H]- 270.149954 169.1
[M+NH4]+ 289.191053 179.3
[M+K]+ 310.120388 164.9
[M+H-H2O]+ 254.154490 156.3
[M+HCOO]- 316.155431 186.7
[M+CH3COO]- 330.171081 199.4
[M+Na-2H]- 292.131896 168.8
[M]+ 271.15668142 164.5
[M]- 271.15777858 164.5
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

No patent data available for this compound.