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 154.2
[M+Na]+ 277.09475 159.5
[M-H]- 253.09825 156.3
[M+NH4]+ 272.13935 160.2
[M+K]+ 293.06869 158.8
[M+H-H2O]+ 237.10279 149.2
[M+HCOO]- 299.10373 162.0
[M+CH3COO]- 313.11938 158.8
[M+Na-2H]- 275.08020 156.1
[M]+ 254.10498 153.6
[M]- 254.10608 153.6
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

No patent data available for this compound.