CID 34032

3,4-dihydro-3-hydroxy-6-phenethyl-1,5-benzoxazocine

Structural Information

Molecular Formula
C18H19NO2
SMILES
C1C(COC2=CC=CC=C2C(=N1)CCC3=CC=CC=C3)O
InChI
InChI=1S/C18H19NO2/c20-15-12-19-17(11-10-14-6-2-1-3-7-14)16-8-4-5-9-18(16)21-13-15/h1-9,15,20H,10-13H2
InChIKey
WKEFGSVJSRPUMA-UHFFFAOYSA-N
Compound name
6-(2-phenylethyl)-3,4-dihydro-2H-1,5-benzoxazocin-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

281.14157 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.148846 159.1
[M+Na]+ 304.130788 163.8
[M-H]- 280.134294 161.6
[M+NH4]+ 299.175393 165.2
[M+K]+ 320.104728 162.9
[M+H-H2O]+ 264.138830 154.2
[M+HCOO]- 326.139771 167.0
[M+CH3COO]- 340.155421 163.4
[M+Na-2H]- 302.116236 160.2
[M]+ 281.14102142 158.7
[M]- 281.14211858 158.7
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.