CID 471103

Quino[8,1-bc][1,4]benzoxazepinone

Structural Information

Molecular Formula
C16H13NO2
SMILES
C1CC2=C3C(=CC=C2)OC4=CC=CC=C4C(=O)N3C1
InChI
InChI=1S/C16H13NO2/c18-16-12-7-1-2-8-13(12)19-14-9-3-5-11-6-4-10-17(16)15(11)14/h1-3,5,7-9H,4,6,10H2
InChIKey
SJMOTAQGFOBJNE-UHFFFAOYSA-N
Compound name
9-oxa-1-azatetracyclo[8.7.1.03,8.014,18]octadeca-3,5,7,10,12,14(18)-hexaen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

251.09464 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.10192 152.8
[M+Na]+ 274.08386 160.7
[M-H]- 250.08736 158.9
[M+NH4]+ 269.12846 169.8
[M+K]+ 290.05780 160.3
[M+H-H2O]+ 234.09190 146.8
[M+HCOO]- 296.09284 168.4
[M+CH3COO]- 310.10849 164.5
[M+Na-2H]- 272.06931 161.9
[M]+ 251.09409 150.4
[M]- 251.09519 150.4
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.