CID 2785837

23872-55-1

Structural Information

Molecular Formula
C11H8ClN3O3
SMILES
C1=CC(=CC=C1N=CC2=C(NC(=O)NC2=O)O)Cl
InChI
InChI=1S/C11H8ClN3O3/c12-6-1-3-7(4-2-6)13-5-8-9(16)14-11(18)15-10(8)17/h1-5H,(H3,14,15,16,17,18)
InChIKey
VRAMXLFGMCFDRG-UHFFFAOYSA-N
Compound name
5-[(4-chlorophenyl)iminomethyl]-6-hydroxy-1H-pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

265.02542 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.03270 153.7
[M+Na]+ 288.01464 165.0
[M-H]- 264.01814 156.2
[M+NH4]+ 283.05924 167.2
[M+K]+ 303.98858 157.9
[M+H-H2O]+ 248.02268 146.4
[M+HCOO]- 310.02362 171.0
[M+CH3COO]- 324.03927 190.4
[M+Na-2H]- 286.00009 159.5
[M]+ 265.02487 154.1
[M]- 265.02597 154.1
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

No patent data available for this compound.