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]+ 346.20128 185.6
[M+Na]+ 368.18322 196.3
[M+NH4]+ 363.22782 191.5
[M+K]+ 384.15716 189.4
[M-H]- 344.18672 188.5
[M+Na-2H]- 366.16867 191.4
[M]+ 345.19345 187.7
[M]- 345.19455 187.7
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