CID 453968

9oh-6me-pboa-5one

Structural Information

Molecular Formula
C13H10N2O3
SMILES
CN1C2=C(C=C(C=C2)O)OC3=C(C1=O)C=CC=N3
InChI
InChI=1S/C13H10N2O3/c1-15-10-5-4-8(16)7-11(10)18-12-9(13(15)17)3-2-6-14-12/h2-7,16H,1H3
InChIKey
JKBBQPSIEMHKTB-UHFFFAOYSA-N
Compound name
9-hydroxy-6-methylpyrido[2,3-b][1,5]benzoxazepin-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

242.06914 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.07642 149.6
[M+Na]+ 265.05836 159.5
[M-H]- 241.06186 153.9
[M+NH4]+ 260.10296 164.3
[M+K]+ 281.03230 160.7
[M+H-H2O]+ 225.06640 142.7
[M+HCOO]- 287.06734 166.5
[M+CH3COO]- 301.08299 161.8
[M+Na-2H]- 263.04381 157.9
[M]+ 242.06859 149.0
[M]- 242.06969 149.0
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.