CID 215384

35629-63-1

Structural Information

Molecular Formula
C11H6ClN3O3
SMILES
C1=CC(=CC=C1N2C(=O)N=C3N(C2=O)C=CO3)Cl
InChI
InChI=1S/C11H6ClN3O3/c12-7-1-3-8(4-2-7)15-9(16)13-10-14(11(15)17)5-6-18-10/h1-6H
InChIKey
ZANQJECHIGXUGE-UHFFFAOYSA-N
Compound name
3-(4-chlorophenyl)-[1,3]oxazolo[3,2-a][1,3,5]triazine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

263.00977 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.01705 151.2
[M+Na]+ 285.99899 166.3
[M-H]- 262.00249 157.2
[M+NH4]+ 281.04359 166.6
[M+K]+ 301.97293 161.7
[M+H-H2O]+ 246.00703 142.9
[M+HCOO]- 308.00797 169.7
[M+CH3COO]- 322.02362 165.5
[M+Na-2H]- 283.98444 158.8
[M]+ 263.00922 158.7
[M]- 263.01032 158.7
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.