CID 3057310

3-phenylmethylamino-1-(4-methoxymethylphenoxy)-propanol-2 hydrochloride

Structural Information

Molecular Formula
C18H23NO3
SMILES
COCC1=CC=C(C=C1)OCC(CNCC2=CC=CC=C2)O
InChI
InChI=1S/C18H23NO3/c1-21-13-16-7-9-18(10-8-16)22-14-17(20)12-19-11-15-5-3-2-4-6-15/h2-10,17,19-20H,11-14H2,1H3
InChIKey
UCTDGGDOAKYHJS-UHFFFAOYSA-N
Compound name
1-(benzylamino)-3-[4-(methoxymethyl)phenoxy]propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

301.1678 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.17508 173.4
[M+Na]+ 324.15702 185.3
[M+NH4]+ 319.20162 180.6
[M+K]+ 340.13096 177.8
[M-H]- 300.16052 177.4
[M+Na-2H]- 322.14247 181.1
[M]+ 301.16725 176.1
[M]- 301.16835 176.1
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

patents stripe