CID 24691355

4-(3-aminophenyl)-1,2,4-triazolidine-3,5-dione hydrochloride

Structural Information

Molecular Formula
C8H8N4O2
SMILES
C1=CC(=CC(=C1)N2C(=O)NNC2=O)N
InChI
InChI=1S/C8H8N4O2/c9-5-2-1-3-6(4-5)12-7(13)10-11-8(12)14/h1-4H,9H2,(H,10,13)(H,11,14)
InChIKey
BFJOZDNKANUEHN-UHFFFAOYSA-N
Compound name
4-(3-aminophenyl)-1,2,4-triazolidine-3,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

192.06473 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.072006 138.2
[M+Na]+ 215.053948 148.8
[M-H]- 191.057454 139.2
[M+NH4]+ 210.098553 153.8
[M+K]+ 231.027888 143.6
[M+H-H2O]+ 175.061990 130.3
[M+HCOO]- 237.062931 159.5
[M+CH3COO]- 251.078581 177.7
[M+Na-2H]- 213.039396 143.0
[M]+ 192.06418142 134.7
[M]- 192.06527858 134.7
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.