CID 371845

Nsc646364

Structural Information

Molecular Formula
C12H7Cl2N3O5
SMILES
C1=CC(=C(C=C1Cl)NC(=O)C(=O)C2C(=O)NC(=O)NC2=O)Cl
InChI
InChI=1S/C12H7Cl2N3O5/c13-4-1-2-5(14)6(3-4)15-11(21)8(18)7-9(19)16-12(22)17-10(7)20/h1-3,7H,(H,15,21)(H2,16,17,19,20,22)
InChIKey
HXGLKNKJJJLXJN-UHFFFAOYSA-N
Compound name
N-(2,5-dichlorophenyl)-2-oxo-2-(2,4,6-trioxo-1,3-diazinan-5-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

342.9763 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.98358 166.7
[M+Na]+ 365.96552 175.3
[M-H]- 341.96902 168.1
[M+NH4]+ 361.01012 177.0
[M+K]+ 381.93946 169.2
[M+H-H2O]+ 325.97356 160.7
[M+HCOO]- 387.97450 173.4
[M+CH3COO]- 401.99015 205.2
[M+Na-2H]- 363.95097 166.2
[M]+ 342.97575 165.4
[M]- 342.97685 165.4
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.