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
1
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]+ 233.05568 146.1
[M+Na]+ 255.03762 155.7
[M-H]- 231.04112 151.9
[M+NH4]+ 250.08222 163.2
[M+K]+ 271.01156 154.1
[M+H-H2O]+ 215.04566 139.3
[M+HCOO]- 277.04660 170.8
[M+CH3COO]- 291.06225 193.6
[M+Na-2H]- 253.02307 153.8
[M]+ 232.04785 147.8
[M]- 232.04895 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