CID 453983

7am-6et-9me-pboa-5one

Structural Information

Molecular Formula
C15H15N3O2
SMILES
CCN1C2=C(C=C(C=C2OC3=C(C1=O)C=CC=N3)C)N
InChI
InChI=1S/C15H15N3O2/c1-3-18-13-11(16)7-9(2)8-12(13)20-14-10(15(18)19)5-4-6-17-14/h4-8H,3,16H2,1-2H3
InChIKey
IKITZJALQKJYEJ-UHFFFAOYSA-N
Compound name
7-amino-6-ethyl-9-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 161.4
[M+Na]+ 292.10564 171.2
[M-H]- 268.10914 166.6
[M+NH4]+ 287.15024 175.5
[M+K]+ 308.07958 172.1
[M+H-H2O]+ 252.11368 153.7
[M+HCOO]- 314.11462 179.3
[M+CH3COO]- 328.13027 173.1
[M+Na-2H]- 290.09109 167.8
[M]+ 269.11587 160.7
[M]- 269.11697 160.7
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.