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]+ 270.123696 161.4
[M+Na]+ 292.105638 171.2
[M-H]- 268.109144 166.6
[M+NH4]+ 287.150243 175.5
[M+K]+ 308.079578 172.1
[M+H-H2O]+ 252.113680 153.7
[M+HCOO]- 314.114621 179.3
[M+CH3COO]- 328.130271 173.1
[M+Na-2H]- 290.091086 167.8
[M]+ 269.11587142 160.7
[M]- 269.11696858 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.