CID 453914

10me-dboa-11one

Structural Information

Molecular Formula
C14H11NO2
SMILES
CN1C2=CC=CC=C2OC3=CC=CC=C3C1=O
InChI
InChI=1S/C14H11NO2/c1-15-11-7-3-5-9-13(11)17-12-8-4-2-6-10(12)14(15)16/h2-9H,1H3
InChIKey
WMCRMMMOZIJLNG-UHFFFAOYSA-N
Compound name
5-methylbenzo[b][1,4]benzoxazepin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

18
Patents

225.07898 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.08626 144.6
[M+Na]+ 248.06820 153.8
[M-H]- 224.07170 151.2
[M+NH4]+ 243.11280 161.8
[M+K]+ 264.04214 154.8
[M+H-H2O]+ 208.07624 139.0
[M+HCOO]- 270.07718 163.8
[M+CH3COO]- 284.09283 157.7
[M+Na-2H]- 246.05365 153.7
[M]+ 225.07843 143.8
[M]- 225.07953 143.8
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.