CID 93699

34380-47-7

Structural Information

Molecular Formula
C19H25NO3
SMILES
CC(C)NCC(COC1=CC=C(C=C1)OCC2=CC=CC=C2)O
InChI
InChI=1S/C19H25NO3/c1-15(2)20-12-17(21)14-23-19-10-8-18(9-11-19)22-13-16-6-4-3-5-7-16/h3-11,15,17,20-21H,12-14H2,1-2H3
InChIKey
YUFPERPQVJMWEN-UHFFFAOYSA-N
Compound name
1-(4-phenylmethoxyphenoxy)-3-(propan-2-ylamino)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

30
Patents

315.18344 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.190716 177.0
[M+Na]+ 338.172658 180.1
[M-H]- 314.176164 181.3
[M+NH4]+ 333.217263 189.9
[M+K]+ 354.146598 177.0
[M+H-H2O]+ 298.180700 168.3
[M+HCOO]- 360.181641 197.8
[M+CH3COO]- 374.197291 208.3
[M+Na-2H]- 336.158106 179.1
[M]+ 315.18289142 178.6
[M]- 315.18398858 178.6
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