CID 371855

Nsc646375

Structural Information

Molecular Formula
C13H8F3N3O5
SMILES
C1=CC(=CC(=C1)NC(=O)C(=O)C2C(=O)NC(=O)NC2=O)C(F)(F)F
InChI
InChI=1S/C13H8F3N3O5/c14-13(15,16)5-2-1-3-6(4-5)17-11(23)8(20)7-9(21)18-12(24)19-10(7)22/h1-4,7H,(H,17,23)(H2,18,19,21,22,24)
InChIKey
CCIYJTZCSKZVFG-UHFFFAOYSA-N
Compound name
2-oxo-N-[3-(trifluoromethyl)phenyl]-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

343.0416 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.04888 170.3
[M+Na]+ 366.03082 177.2
[M-H]- 342.03432 167.9
[M+NH4]+ 361.07542 178.7
[M+K]+ 382.00476 172.5
[M+H-H2O]+ 326.03886 160.0
[M+HCOO]- 388.03980 181.2
[M+CH3COO]- 402.05545 206.7
[M+Na-2H]- 364.01627 170.2
[M]+ 343.04105 161.4
[M]- 343.04215 161.4
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.