CID 363967

Nsc629566

Structural Information

Molecular Formula
C15H14N4O2
SMILES
C1=CC=C(C=C1)CN2C(=O)N(C(=O)N2C3=CC=CC=C3)N
InChI
InChI=1S/C15H14N4O2/c16-18-14(20)17(11-12-7-3-1-4-8-12)19(15(18)21)13-9-5-2-6-10-13/h1-10H,11,16H2
InChIKey
JSNHDWWDUWFXHY-UHFFFAOYSA-N
Compound name
4-amino-1-benzyl-2-phenyl-1,2,4-triazolidine-3,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

282.11166 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.118936 163.2
[M+Na]+ 305.100878 173.8
[M-H]- 281.104384 169.9
[M+NH4]+ 300.145483 176.2
[M+K]+ 321.074818 167.9
[M+H-H2O]+ 265.108920 153.0
[M+HCOO]- 327.109861 186.5
[M+CH3COO]- 341.125511 175.3
[M+Na-2H]- 303.086326 166.9
[M]+ 282.11111142 163.6
[M]- 282.11220858 163.6
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.