CID 473477

9-oxoxanthene-1-carboxamide

Structural Information

Molecular Formula
C14H9NO3
SMILES
C1=CC=C2C(=C1)C(=O)C3=C(C=CC=C3O2)C(=O)N
InChI
InChI=1S/C14H9NO3/c15-14(17)9-5-3-7-11-12(9)13(16)8-4-1-2-6-10(8)18-11/h1-7H,(H2,15,17)
InChIKey
JNMDQIRYQMWXQF-UHFFFAOYSA-N
Compound name
9-oxoxanthene-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3
Patents

239.05824 Da
Monoisotopic Mass

1.8
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

literature stripe

Patent stripe

patents stripe