CID 210566

21299-86-5

Structural Information

Molecular Formula
C18H23NO3
SMILES
CC(C)NCC(COC1=CC=CC=C1OC2=CC=CC=C2)O
InChI
InChI=1S/C18H23NO3/c1-14(2)19-12-15(20)13-21-17-10-6-7-11-18(17)22-16-8-4-3-5-9-16/h3-11,14-15,19-20H,12-13H2,1-2H3
InChIKey
KKUNNAQTFRMRFW-UHFFFAOYSA-N
Compound name
1-(2-phenoxyphenoxy)-3-(propan-2-ylamino)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

301.1678 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.175076 172.5
[M+Na]+ 324.157018 176.0
[M-H]- 300.160524 177.0
[M+NH4]+ 319.201623 185.9
[M+K]+ 340.130958 173.1
[M+H-H2O]+ 284.165060 163.9
[M+HCOO]- 346.166001 193.6
[M+CH3COO]- 360.181651 205.4
[M+Na-2H]- 322.142466 175.1
[M]+ 301.16725142 173.7
[M]- 301.16834858 173.7
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