CID 213417

26327-66-2

Structural Information

Molecular Formula
C18H23NO3
SMILES
CC1=CC=CC=C1OC2=CC=CC=C2OCC(CN(C)C)O
InChI
InChI=1S/C18H23NO3/c1-14-8-4-5-9-16(14)22-18-11-7-6-10-17(18)21-13-15(20)12-19(2)3/h4-11,15,20H,12-13H2,1-3H3
InChIKey
YJCVORLEBMWDSE-UHFFFAOYSA-N
Compound name
1-(dimethylamino)-3-[2-(2-methylphenoxy)phenoxy]propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

301.1678 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.17508 172.3
[M+Na]+ 324.15702 177.3
[M-H]- 300.16052 178.7
[M+NH4]+ 319.20162 186.8
[M+K]+ 340.13096 175.3
[M+H-H2O]+ 284.16506 163.7
[M+HCOO]- 346.16600 195.0
[M+CH3COO]- 360.18165 209.0
[M+Na-2H]- 322.14247 174.7
[M]+ 301.16725 175.9
[M]- 301.16835 175.9
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

No patent data available for this compound.