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

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

patents stripe