CID 391645

Nsc691131

Structural Information

Molecular Formula
C15H12N4O3
SMILES
C1=CC=C(C=C1)NC(=O)N2C(=O)N(C(=O)N2)C3=CC=CC=C3
InChI
InChI=1S/C15H12N4O3/c20-13(16-11-7-3-1-4-8-11)19-15(22)18(14(21)17-19)12-9-5-2-6-10-12/h1-10H,(H,16,20)(H,17,21)
InChIKey
VYOPQSJWBHYPOC-UHFFFAOYSA-N
Compound name
3,5-dioxo-N,4-diphenyl-1,2,4-triazolidine-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

296.09094 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.09822 165.0
[M+Na]+ 319.08016 174.0
[M-H]- 295.08366 170.7
[M+NH4]+ 314.12476 176.5
[M+K]+ 335.05410 168.4
[M+H-H2O]+ 279.08820 154.9
[M+HCOO]- 341.08914 186.8
[M+CH3COO]- 355.10479 176.1
[M+Na-2H]- 317.06561 169.1
[M]+ 296.09039 164.1
[M]- 296.09149 164.1
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

patents stripe