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]+ 283.11894 163.2
[M+Na]+ 305.10088 173.8
[M-H]- 281.10438 169.9
[M+NH4]+ 300.14548 176.2
[M+K]+ 321.07482 167.9
[M+H-H2O]+ 265.10892 153.0
[M+HCOO]- 327.10986 186.5
[M+CH3COO]- 341.12551 175.3
[M+Na-2H]- 303.08633 166.9
[M]+ 282.11111 163.6
[M]- 282.11221 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.