CID 5292673

27406-31-1

Structural Information

Molecular Formula
C11H8N2O4
SMILES
C1=CC(=CC=C1C=C2C(=O)NC(=O)NC2=O)O
InChI
InChI=1S/C11H8N2O4/c14-7-3-1-6(2-4-7)5-8-9(15)12-11(17)13-10(8)16/h1-5,14H,(H2,12,13,15,16,17)
InChIKey
KSOJQSBHVKAHPC-UHFFFAOYSA-N
Compound name
5-[(4-hydroxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

25
Patents

232.0484 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.05568 150.0
[M+Na]+ 255.03762 158.2
[M-H]- 231.04112 150.3
[M+NH4]+ 250.08222 163.0
[M+K]+ 271.01156 152.5
[M+H-H2O]+ 215.04566 142.6
[M+HCOO]- 277.04660 165.3
[M+CH3COO]- 291.06225 181.6
[M+Na-2H]- 253.02307 152.4
[M]+ 232.04785 143.6
[M]- 232.04895 143.6
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