CID 3038420

4h-1-benzopyran-2-carboxamide, 8-methyl-6-nitro-4-oxo-

Structural Information

Molecular Formula
C11H8N2O5
SMILES
CC1=CC(=CC2=C1OC(=CC2=O)C(=O)N)[N+](=O)[O-]
InChI
InChI=1S/C11H8N2O5/c1-5-2-6(13(16)17)3-7-8(14)4-9(11(12)15)18-10(5)7/h2-4H,1H3,(H2,12,15)
InChIKey
WFVBLALXGJBJTP-UHFFFAOYSA-N
Compound name
8-methyl-6-nitro-4-oxochromene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

248.04332 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.050596 147.9
[M+Na]+ 271.032538 157.0
[M-H]- 247.036044 153.7
[M+NH4]+ 266.077143 163.7
[M+K]+ 287.006478 151.7
[M+H-H2O]+ 231.040580 145.9
[M+HCOO]- 293.041521 172.0
[M+CH3COO]- 307.057171 190.5
[M+Na-2H]- 269.017986 155.9
[M]+ 248.04277142 148.8
[M]- 248.04386858 148.8
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.