CID 214695

5-methoxy-4-oxo-4h-1-benzopyran-2-carboxamide

Structural Information

Molecular Formula
C11H9NO4
SMILES
COC1=CC=CC2=C1C(=O)C=C(O2)C(=O)N
InChI
InChI=1S/C11H9NO4/c1-15-7-3-2-4-8-10(7)6(13)5-9(16-8)11(12)14/h2-5H,1H3,(H2,12,14)
InChIKey
TYBAUWDPHYNKFQ-UHFFFAOYSA-N
Compound name
5-methoxy-4-oxochromene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

219.05316 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.060436 142.4
[M+Na]+ 242.042378 152.5
[M-H]- 218.045884 148.2
[M+NH4]+ 237.086983 160.4
[M+K]+ 258.016318 151.5
[M+H-H2O]+ 202.050420 136.1
[M+HCOO]- 264.051361 165.9
[M+CH3COO]- 278.067011 190.4
[M+Na-2H]- 240.027826 149.8
[M]+ 219.05261142 145.7
[M]- 219.05370858 145.7
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

patents stripe