CID 135469311

Nsc666248

Structural Information

Molecular Formula
C10H8N2O4
SMILES
C1=CC(=C(C2=C1C=C(C(=N)O2)C(=O)N)O)O
InChI
InChI=1S/C10H8N2O4/c11-9(15)5-3-4-1-2-6(13)7(14)8(4)16-10(5)12/h1-3,12-14H,(H2,11,15)
InChIKey
YGCFICMCMFUVOP-UHFFFAOYSA-N
Compound name
7,8-dihydroxy-2-iminochromene-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

20
Patents

220.0484 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.05568 143.5
[M+Na]+ 243.03762 153.1
[M-H]- 219.04112 146.9
[M+NH4]+ 238.08222 159.8
[M+K]+ 259.01156 150.7
[M+H-H2O]+ 203.04566 137.5
[M+HCOO]- 265.04660 165.1
[M+CH3COO]- 279.06225 189.6
[M+Na-2H]- 241.02307 149.9
[M]+ 220.04785 142.4
[M]- 220.04895 142.4
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.