CID 453972

7am-6et-pboa-5one

Structural Information

Molecular Formula
C14H13N3O2
SMILES
CCN1C2=C(C=CC=C2OC3=C(C1=O)C=CC=N3)N
InChI
InChI=1S/C14H13N3O2/c1-2-17-12-10(15)6-3-7-11(12)19-13-9(14(17)18)5-4-8-16-13/h3-8H,2,15H2,1H3
InChIKey
XODGFRIQTQJAFO-UHFFFAOYSA-N
Compound name
7-amino-6-ethylpyrido[2,3-b][1,5]benzoxazepin-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

7
Patents

255.10077 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.10805 156.2
[M+Na]+ 278.08999 165.6
[M-H]- 254.09349 161.2
[M+NH4]+ 273.13459 170.6
[M+K]+ 294.06393 166.5
[M+H-H2O]+ 238.09803 148.5
[M+HCOO]- 300.09897 174.4
[M+CH3COO]- 314.11462 168.0
[M+Na-2H]- 276.07544 163.8
[M]+ 255.10022 154.8
[M]- 255.10132 154.8
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.