CID 3076602

Alpha-((2-(dimethylamino)ethoxy)methyl)-4-(4-methoxyphenoxy)benzenemethanol hydrochloride

Structural Information

Molecular Formula
C19H25NO4
SMILES
CN(C)CCOCC(C1=CC=C(C=C1)OC2=CC=C(C=C2)OC)O
InChI
InChI=1S/C19H25NO4/c1-20(2)12-13-23-14-19(21)15-4-6-17(7-5-15)24-18-10-8-16(22-3)9-11-18/h4-11,19,21H,12-14H2,1-3H3
InChIKey
UWBWDJSKDJXBEP-UHFFFAOYSA-N
Compound name
2-[2-(dimethylamino)ethoxy]-1-[4-(4-methoxyphenoxy)phenyl]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

331.17834 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.185616 179.8
[M+Na]+ 354.167558 184.1
[M-H]- 330.171064 185.9
[M+NH4]+ 349.212163 193.0
[M+K]+ 370.141498 182.6
[M+H-H2O]+ 314.175600 170.7
[M+HCOO]- 376.176541 202.3
[M+CH3COO]- 390.192191 214.1
[M+Na-2H]- 352.153006 181.7
[M]+ 331.17779142 185.1
[M]- 331.17888858 185.1
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.