CID 101573

101-45-1

Structural Information

Molecular Formula
C18H23NO2
SMILES
CC(COC1=CC=CC=C1)N(CCO)CC2=CC=CC=C2
InChI
InChI=1S/C18H23NO2/c1-16(15-21-18-10-6-3-7-11-18)19(12-13-20)14-17-8-4-2-5-9-17/h2-11,16,20H,12-15H2,1H3
InChIKey
LYNJRXJVOBYDCM-UHFFFAOYSA-N
Compound name
2-[benzyl(1-phenoxypropan-2-yl)amino]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

285.17288 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.180156 169.6
[M+Na]+ 308.162098 172.7
[M-H]- 284.165604 175.1
[M+NH4]+ 303.206703 184.1
[M+K]+ 324.136038 169.9
[M+H-H2O]+ 268.170140 160.8
[M+HCOO]- 330.171081 192.0
[M+CH3COO]- 344.186731 204.6
[M+Na-2H]- 306.147546 173.3
[M]+ 285.17233142 170.8
[M]- 285.17342858 170.8
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