CID 34032

Brn 4915881

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]+ 282.14885 159.1
[M+Na]+ 304.13079 163.8
[M-H]- 280.13429 161.6
[M+NH4]+ 299.17539 165.2
[M+K]+ 320.10473 162.9
[M+H-H2O]+ 264.13883 154.2
[M+HCOO]- 326.13977 167.0
[M+CH3COO]- 340.15542 163.4
[M+Na-2H]- 302.11624 160.2
[M]+ 281.14102 158.7
[M]- 281.14212 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.