CID 3011164

3h,5h,13h-naphth[2,3-f]oxazolo[4,3-c][1,4]oxazepine-5,13-dione, 1,13a-dihydro-

Structural Information

Molecular Formula
C15H11NO4
SMILES
C1C2C(=O)OC3=CC4=CC=CC=C4C=C3C(=O)N2CO1
InChI
InChI=1S/C15H11NO4/c17-14-11-5-9-3-1-2-4-10(9)6-13(11)20-15(18)12-7-19-8-16(12)14/h1-6,12H,7-8H2
InChIKey
IQMGBFXXTWMQNC-UHFFFAOYSA-N
Compound name
5,9-dioxa-3-azatetracyclo[8.8.0.03,7.012,17]octadeca-1(18),10,12,14,16-pentaene-2,8-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

269.06882 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.07610 154.0
[M+Na]+ 292.05804 163.1
[M-H]- 268.06154 161.9
[M+NH4]+ 287.10264 170.5
[M+K]+ 308.03198 164.0
[M+H-H2O]+ 252.06608 148.9
[M+HCOO]- 314.06702 170.1
[M+CH3COO]- 328.08267 166.5
[M+Na-2H]- 290.04349 160.4
[M]+ 269.06827 153.3
[M]- 269.06937 153.3
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.