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]+ 332.18562 179.8
[M+Na]+ 354.16756 184.1
[M-H]- 330.17106 185.9
[M+NH4]+ 349.21216 193.0
[M+K]+ 370.14150 182.6
[M+H-H2O]+ 314.17560 170.7
[M+HCOO]- 376.17654 202.3
[M+CH3COO]- 390.19219 214.1
[M+Na-2H]- 352.15301 181.7
[M]+ 331.17779 185.1
[M]- 331.17889 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.