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]+ 302.175076 172.5
[M+Na]+ 324.157018 176.5
[M-H]- 300.160524 178.4
[M+NH4]+ 319.201623 186.7
[M+K]+ 340.130958 174.4
[M+H-H2O]+ 284.165060 163.7
[M+HCOO]- 346.166001 195.1
[M+CH3COO]- 360.181651 207.8
[M+Na-2H]- 322.142466 175.6
[M]+ 301.16725142 175.6
[M]- 301.16834858 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.