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 183.7
[M+Na]+ 368.18322 186.9
[M-H]- 344.18672 186.7
[M+NH4]+ 363.22782 194.8
[M+K]+ 384.15716 182.9
[M+H-H2O]+ 328.19126 174.8
[M+HCOO]- 390.19220 203.7
[M+CH3COO]- 404.20785 211.4
[M+Na-2H]- 366.16867 185.4
[M]+ 345.19345 186.2
[M]- 345.19455 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