CID 135409038

3-(ureidomethylene)-2,4-chromanedione

Structural Information

Molecular Formula
C11H8N2O4
SMILES
C1=CC=C2C(=C1)C(=C(C(=O)O2)/C=N/C(=O)N)O
InChI
InChI=1S/C11H8N2O4/c12-11(16)13-5-7-9(14)6-3-1-2-4-8(6)17-10(7)15/h1-5,14H,(H2,12,16)/b13-5+
InChIKey
YFYGYSIOKAKUQT-WLRTZDKTSA-N
Compound name
(E)-(4-hydroxy-2-oxochromen-3-yl)methylideneurea
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1
Patents

232.0484 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.055676 146.1
[M+Na]+ 255.037618 155.7
[M-H]- 231.041124 151.9
[M+NH4]+ 250.082223 163.2
[M+K]+ 271.011558 154.1
[M+H-H2O]+ 215.045660 139.3
[M+HCOO]- 277.046601 170.8
[M+CH3COO]- 291.062251 193.6
[M+Na-2H]- 253.023066 153.8
[M]+ 232.04785142 147.8
[M]- 232.04894858 147.8
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