CID 34033

Brn 4915584

Structural Information

Molecular Formula
C15H14N2O2
SMILES
C1C(COC2=CC=CC=C2C(=N1)C3=CC=CC=N3)O
InChI
InChI=1S/C15H14N2O2/c18-11-9-17-15(13-6-3-4-8-16-13)12-5-1-2-7-14(12)19-10-11/h1-8,11,18H,9-10H2
InChIKey
IHBMBFLDCXYWHU-UHFFFAOYSA-N
Compound name
6-pyridin-2-yl-3,4-dihydro-2H-1,5-benzoxazocin-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

254.10553 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.11281 156.0
[M+Na]+ 277.09475 160.9
[M+NH4]+ 272.13935 158.7
[M+K]+ 293.06869 159.4
[M-H]- 253.09825 157.6
[M+Na-2H]- 275.08020 159.5
[M]+ 254.10498 157.1
[M]- 254.10608 157.1
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

No patent data available for this compound.