CID 214629

4h-1-benzopyran-2-carboxamide, 5,7-dimethyl-4-oxo-

Structural Information

Molecular Formula
C12H11NO3
SMILES
CC1=CC(=C2C(=C1)OC(=CC2=O)C(=O)N)C
InChI
InChI=1S/C12H11NO3/c1-6-3-7(2)11-8(14)5-10(12(13)15)16-9(11)4-6/h3-5H,1-2H3,(H2,13,15)
InChIKey
UTAURGNFTNUWCZ-UHFFFAOYSA-N
Compound name
5,7-dimethyl-4-oxochromene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

217.0739 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.08118 144.2
[M+Na]+ 240.06312 154.9
[M-H]- 216.06662 150.2
[M+NH4]+ 235.10772 162.7
[M+K]+ 256.03706 153.1
[M+H-H2O]+ 200.07116 138.2
[M+HCOO]- 262.07210 167.1
[M+CH3COO]- 276.08775 192.4
[M+Na-2H]- 238.04857 150.2
[M]+ 217.07335 146.8
[M]- 217.07445 146.8
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

patents stripe