CID 363747

Anthra[1,2-c]isoxazole-6,11-dione

Structural Information

Molecular Formula
C15H7NO3
SMILES
C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C4=NOC=C4C=C3
InChI
InChI=1S/C15H7NO3/c17-14-9-3-1-2-4-10(9)15(18)12-11(14)6-5-8-7-19-16-13(8)12/h1-7H
InChIKey
IRIKYSAFFJRSMS-UHFFFAOYSA-N
Compound name
naphtho[2,3-g][2,1]benzoxazole-6,11-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

249.04259 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.04987 149.5
[M+Na]+ 272.03181 162.5
[M-H]- 248.03531 156.6
[M+NH4]+ 267.07641 169.4
[M+K]+ 288.00575 158.5
[M+H-H2O]+ 232.03985 142.6
[M+HCOO]- 294.04079 170.9
[M+CH3COO]- 308.05644 163.9
[M+Na-2H]- 270.01726 158.5
[M]+ 249.04204 154.1
[M]- 249.04314 154.1
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

patents stripe