CID 3076592

131961-59-6

Structural Information

Molecular Formula
C18H23NO3
SMILES
CN(C)CCOCC(C1=CC(=CC=C1)OC2=CC=CC=C2)O
InChI
InChI=1S/C18H23NO3/c1-19(2)11-12-21-14-18(20)15-7-6-10-17(13-15)22-16-8-4-3-5-9-16/h3-10,13,18,20H,11-12,14H2,1-2H3
InChIKey
GYZMCSGSNDMCTD-UHFFFAOYSA-N
Compound name
2-[2-(dimethylamino)ethoxy]-1-(3-phenoxyphenyl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

301.1678 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.17508 172.7
[M+Na]+ 324.15702 184.8
[M+NH4]+ 319.20162 180.2
[M+K]+ 340.13096 177.9
[M-H]- 300.16052 177.1
[M+Na-2H]- 322.14247 180.7
[M]+ 301.16725 175.6
[M]- 301.16835 175.6
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

No patent data available for this compound.