CID 453975

140413-20-3

Structural Information

Molecular Formula
C15H15N3O2
SMILES
CC1=CC2=C(C=C1C)OC3=C(C=C(C=N3)N)C(=O)N2C
InChI
InChI=1S/C15H15N3O2/c1-8-4-12-13(5-9(8)2)20-14-11(15(19)18(12)3)6-10(16)7-17-14/h4-7H,16H2,1-3H3
InChIKey
LXEMJVJWZKCMJJ-UHFFFAOYSA-N
Compound name
3-amino-6,8,9-trimethylpyrido[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 162.0
[M+Na]+ 292.10564 172.7
[M-H]- 268.10914 167.6
[M+NH4]+ 287.15024 176.5
[M+K]+ 308.07958 173.7
[M+H-H2O]+ 252.11368 154.5
[M+HCOO]- 314.11462 179.8
[M+CH3COO]- 328.13027 174.0
[M+Na-2H]- 290.09109 167.6
[M]+ 269.11587 161.7
[M]- 269.11697 161.7
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.