CID 371574

Nsc645902

Structural Information

Molecular Formula
C14H13N3O5
SMILES
CC1=C(C(=CC=C1)C)NC(=O)C(=O)C2C(=O)NC(=O)NC2=O
InChI
InChI=1S/C14H13N3O5/c1-6-4-3-5-7(2)9(6)15-13(21)10(18)8-11(19)16-14(22)17-12(8)20/h3-5,8H,1-2H3,(H,15,21)(H2,16,17,19,20,22)
InChIKey
PWGKUSPCSXEVGN-UHFFFAOYSA-N
Compound name
N-(2,6-dimethylphenyl)-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

303.0855 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.09278 166.6
[M+Na]+ 326.07472 173.4
[M-H]- 302.07822 168.3
[M+NH4]+ 321.11932 177.0
[M+K]+ 342.04866 169.3
[M+H-H2O]+ 286.08276 158.6
[M+HCOO]- 348.08370 181.9
[M+CH3COO]- 362.09935 203.3
[M+Na-2H]- 324.06017 165.8
[M]+ 303.08495 162.5
[M]- 303.08605 162.5
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.