CID 2793819

3-phenylmethylamino-1-(4-(2-methoxyethyl)phenoxy)-propanol-2 hydrochloride

Structural Information

Molecular Formula
C19H25NO3
SMILES
COCCC1=CC=C(C=C1)OCC(CNCC2=CC=CC=C2)O
InChI
InChI=1S/C19H25NO3/c1-22-12-11-16-7-9-19(10-8-16)23-15-18(21)14-20-13-17-5-3-2-4-6-17/h2-10,18,20-21H,11-15H2,1H3
InChIKey
SVQDJSACHSZVJS-UHFFFAOYSA-N
Compound name
1-(benzylamino)-3-[4-(2-methoxyethyl)phenoxy]propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

315.18344 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.19072 177.9
[M+Na]+ 338.17266 189.6
[M+NH4]+ 333.21726 185.0
[M+K]+ 354.14660 181.9
[M-H]- 314.17616 181.9
[M+Na-2H]- 336.15811 185.4
[M]+ 315.18289 180.6
[M]- 315.18399 180.6
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