CID 3057303

4-(2-((2-hydroxy-3-(4-(2-methoxyethyl)phenoxy)propyl)amino)ethyl)phenol hydrochloride

Structural Information

Molecular Formula
C20H27NO4
SMILES
COCCC1=CC=C(C=C1)OCC(CNCCC2=CC=C(C=C2)O)O
InChI
InChI=1S/C20H27NO4/c1-24-13-11-17-4-8-20(9-5-17)25-15-19(23)14-21-12-10-16-2-6-18(22)7-3-16/h2-9,19,21-23H,10-15H2,1H3
InChIKey
DQWFIVZEUOVVGZ-UHFFFAOYSA-N
Compound name
4-[2-[[2-hydroxy-3-[4-(2-methoxyethyl)phenoxy]propyl]amino]ethyl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

345.194 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.201276 183.7
[M+Na]+ 368.183218 186.9
[M-H]- 344.186724 186.7
[M+NH4]+ 363.227823 194.8
[M+K]+ 384.157158 182.9
[M+H-H2O]+ 328.191260 174.8
[M+HCOO]- 390.192201 203.7
[M+CH3COO]- 404.207851 211.4
[M+Na-2H]- 366.168666 185.4
[M]+ 345.19345142 186.2
[M]- 345.19454858 186.2
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

patents stripe