CID 453966

9am-6me-pboa-5one

Structural Information

Molecular Formula
C13H11N3O2
SMILES
CN1C2=C(C=C(C=C2)N)OC3=C(C1=O)C=CC=N3
InChI
InChI=1S/C13H11N3O2/c1-16-10-5-4-8(14)7-11(10)18-12-9(13(16)17)3-2-6-15-12/h2-7H,14H2,1H3
InChIKey
GCBCXZAOJBFLKI-UHFFFAOYSA-N
Compound name
9-amino-6-methylpyrido[2,3-b][1,5]benzoxazepin-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

241.08513 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.09241 151.7
[M+Na]+ 264.07435 161.5
[M-H]- 240.07785 156.9
[M+NH4]+ 259.11895 166.6
[M+K]+ 280.04829 162.6
[M+H-H2O]+ 224.08239 144.2
[M+HCOO]- 286.08333 170.3
[M+CH3COO]- 300.09898 163.9
[M+Na-2H]- 262.05980 159.9
[M]+ 241.08458 150.0
[M]- 241.08568 150.0
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.