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]+ 316.190716 176.4
[M+Na]+ 338.172658 179.8
[M-H]- 314.176164 180.6
[M+NH4]+ 333.217263 189.3
[M+K]+ 354.146598 176.1
[M+H-H2O]+ 298.180700 167.5
[M+HCOO]- 360.181641 198.2
[M+CH3COO]- 374.197291 207.4
[M+Na-2H]- 336.158106 179.8
[M]+ 315.18289142 178.6
[M]- 315.18398858 178.6
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