CID 453987

7am-6,9-dime-pboa-5one

Structural Information

Molecular Formula
C14H13N3O2
SMILES
CC1=CC(=C2C(=C1)OC3=C(C=CC=N3)C(=O)N2C)N
InChI
InChI=1S/C14H13N3O2/c1-8-6-10(15)12-11(7-8)19-13-9(4-3-5-16-13)14(18)17(12)2/h3-7H,15H2,1-2H3
InChIKey
KIBWELKNUAPXST-UHFFFAOYSA-N
Compound name
7-amino-6,9-dimethylpyrido[2,3-b][1,5]benzoxazepin-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
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 156.9
[M+Na]+ 278.08999 167.1
[M-H]- 254.09349 162.3
[M+NH4]+ 273.13459 171.6
[M+K]+ 294.06393 168.2
[M+H-H2O]+ 238.09803 149.4
[M+HCOO]- 300.09897 175.1
[M+CH3COO]- 314.11462 169.0
[M+Na-2H]- 276.07544 163.8
[M]+ 255.10022 155.9
[M]- 255.10132 155.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.