CID 34033

3,4-dihydro-3-hydroxy-6-(2-pyridyl)-1,5-benzoxazocine

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]+ 255.112806 154.2
[M+Na]+ 277.094748 159.5
[M-H]- 253.098254 156.3
[M+NH4]+ 272.139353 160.2
[M+K]+ 293.068688 158.8
[M+H-H2O]+ 237.102790 149.2
[M+HCOO]- 299.103731 162.0
[M+CH3COO]- 313.119381 158.8
[M+Na-2H]- 275.080196 156.1
[M]+ 254.10498142 153.6
[M]- 254.10607858 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.