CID 453915

10et-dboa-11one

Structural Information

Molecular Formula
C15H13NO2
SMILES
CCN1C2=CC=CC=C2OC3=CC=CC=C3C1=O
InChI
InChI=1S/C15H13NO2/c1-2-16-12-8-4-6-10-14(12)18-13-9-5-3-7-11(13)15(16)17/h3-10H,2H2,1H3
InChIKey
MRBRHCRUXKHKKI-UHFFFAOYSA-N
Compound name
5-ethylbenzo[b][1,4]benzoxazepin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

239.09464 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.10192 149.3
[M+Na]+ 262.08386 158.0
[M-H]- 238.08736 155.6
[M+NH4]+ 257.12846 165.9
[M+K]+ 278.05780 158.8
[M+H-H2O]+ 222.09190 143.4
[M+HCOO]- 284.09284 168.1
[M+CH3COO]- 298.10849 161.9
[M+Na-2H]- 260.06931 157.8
[M]+ 239.09409 148.8
[M]- 239.09519 148.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.