CID 453967

9dimeam-6me-pboa-5one

Structural Information

Molecular Formula
C15H15N3O2
SMILES
CN1C2=C(C=C(C=C2)N(C)C)OC3=C(C1=O)C=CC=N3
InChI
InChI=1S/C15H15N3O2/c1-17(2)10-6-7-12-13(9-10)20-14-11(5-4-8-16-14)15(19)18(12)3/h4-9H,1-3H3
InChIKey
HUESBOPSZSWDRA-UHFFFAOYSA-N
Compound name
9-(dimethylamino)-6-methylpyrido[2,3-b][1,5]benzoxazepin-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

269.11642 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.12370 159.2
[M+Na]+ 292.10564 168.3
[M-H]- 268.10914 165.9
[M+NH4]+ 287.15024 173.9
[M+K]+ 308.07958 170.5
[M+H-H2O]+ 252.11368 151.2
[M+HCOO]- 314.11462 178.2
[M+CH3COO]- 328.13027 171.4
[M+Na-2H]- 290.09109 166.7
[M]+ 269.11587 160.1
[M]- 269.11697 160.1
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.