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
1
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]+ 272.16451 164.4
[M+Na]+ 294.14645 168.9
[M-H]- 270.14995 169.1
[M+NH4]+ 289.19105 179.3
[M+K]+ 310.12039 164.9
[M+H-H2O]+ 254.15449 156.3
[M+HCOO]- 316.15543 186.7
[M+CH3COO]- 330.17108 199.4
[M+Na-2H]- 292.13190 168.8
[M]+ 271.15668 164.5
[M]- 271.15778 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.