CID 482186

Chembl15911

Structural Information

Molecular Formula
C12H9N3O2
SMILES
C1=CC2=C(N=C1)OC3=C(C=CC(=C3)N)NC2=O
InChI
InChI=1S/C12H9N3O2/c13-7-3-4-9-10(6-7)17-12-8(11(16)15-9)2-1-5-14-12/h1-6H,13H2,(H,15,16)
InChIKey
LXTWWFKWPYKGDZ-UHFFFAOYSA-N
Compound name
9-amino-6H-pyrido[2,3-b][1,5]benzoxazepin-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

227.06947 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.07675 147.0
[M+Na]+ 250.05869 155.9
[M-H]- 226.06219 150.7
[M+NH4]+ 245.10329 161.5
[M+K]+ 266.03263 156.5
[M+H-H2O]+ 210.06673 139.7
[M+HCOO]- 272.06767 164.5
[M+CH3COO]- 286.08332 158.7
[M+Na-2H]- 248.04414 156.0
[M]+ 227.06892 142.9
[M]- 227.07002 142.9
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.