CID 371844

Nsc646362

Structural Information

Molecular Formula
C13H10ClN3O5
SMILES
CC1=C(C=CC=C1Cl)NC(=O)C(=O)C2C(=O)NC(=O)NC2=O
InChI
InChI=1S/C13H10ClN3O5/c1-5-6(14)3-2-4-7(5)15-12(21)9(18)8-10(19)16-13(22)17-11(8)20/h2-4,8H,1H3,(H,15,21)(H2,16,17,19,20,22)
InChIKey
CZEDNUJPQVBVBE-UHFFFAOYSA-N
Compound name
N-(3-chloro-2-methylphenyl)-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

323.03088 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.03816 167.1
[M+Na]+ 346.02010 175.1
[M-H]- 322.02360 169.0
[M+NH4]+ 341.06470 177.7
[M+K]+ 361.99404 169.7
[M+H-H2O]+ 306.02814 160.1
[M+HCOO]- 368.02908 178.4
[M+CH3COO]- 382.04473 203.9
[M+Na-2H]- 344.00555 166.6
[M]+ 323.03033 164.8
[M]- 323.03143 164.8
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

No patent data available for this compound.