CID 135452204

Nsc666249

Structural Information

Molecular Formula
C10H8N2O4
SMILES
C1=C2C=C(C(=N)OC2=CC(=C1O)O)C(=O)N
InChI
InChI=1S/C10H8N2O4/c11-9(15)5-1-4-2-6(13)7(14)3-8(4)16-10(5)12/h1-3,12-14H,(H2,11,15)
InChIKey
NGPLDNSVQRNKAF-UHFFFAOYSA-N
Compound name
6,7-dihydroxy-2-iminochromene-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

220.0484 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.055676 143.5
[M+Na]+ 243.037618 153.1
[M-H]- 219.041124 146.9
[M+NH4]+ 238.082223 159.8
[M+K]+ 259.011558 150.7
[M+H-H2O]+ 203.045660 137.5
[M+HCOO]- 265.046601 165.1
[M+CH3COO]- 279.062251 189.6
[M+Na-2H]- 241.023066 149.9
[M]+ 220.04785142 142.4
[M]- 220.04894858 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

literature stripe

Patent stripe

No patent data available for this compound.