CID 212582

24588-94-1

Structural Information

Molecular Formula
C17H21NO3
SMILES
CN(C)CC(COC1=CC=CC=C1OC2=CC=CC=C2)O
InChI
InChI=1S/C17H21NO3/c1-18(2)12-14(19)13-20-16-10-6-7-11-17(16)21-15-8-4-3-5-9-15/h3-11,14,19H,12-13H2,1-2H3
InChIKey
KSUWPOXDJOONSQ-UHFFFAOYSA-N
Compound name
1-(dimethylamino)-3-(2-phenoxyphenoxy)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

287.15213 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.15941 167.9
[M+Na]+ 310.14135 172.3
[M-H]- 286.14485 174.0
[M+NH4]+ 305.18595 182.6
[M+K]+ 326.11529 170.5
[M+H-H2O]+ 270.14939 159.3
[M+HCOO]- 332.15033 190.9
[M+CH3COO]- 346.16598 204.8
[M+Na-2H]- 308.12680 171.5
[M]+ 287.15158 170.6
[M]- 287.15268 170.6
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