CID 470405

9-oxoxanthene-3-carboxamide

Structural Information

Molecular Formula
C14H9NO3
SMILES
C1=CC=C2C(=C1)C(=O)C3=C(O2)C=C(C=C3)C(=O)N
InChI
InChI=1S/C14H9NO3/c15-14(17)8-5-6-10-12(7-8)18-11-4-2-1-3-9(11)13(10)16/h1-7H,(H2,15,17)
InChIKey
QPZNEERMZBQABU-UHFFFAOYSA-N
Compound name
9-oxoxanthene-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

239.05824 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.06552 147.7
[M+Na]+ 262.04746 158.9
[M-H]- 238.05096 154.6
[M+NH4]+ 257.09206 165.9
[M+K]+ 278.02140 155.9
[M+H-H2O]+ 222.05550 140.8
[M+HCOO]- 284.05644 171.1
[M+CH3COO]- 298.07209 161.8
[M+Na-2H]- 260.03291 157.5
[M]+ 239.05769 150.8
[M]- 239.05879 150.8
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.