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]+ 193.07201 138.2
[M+Na]+ 215.05395 148.8
[M-H]- 191.05745 139.2
[M+NH4]+ 210.09855 153.8
[M+K]+ 231.02789 143.6
[M+H-H2O]+ 175.06199 130.3
[M+HCOO]- 237.06293 159.5
[M+CH3COO]- 251.07858 177.7
[M+Na-2H]- 213.03940 143.0
[M]+ 192.06418 134.7
[M]- 192.06528 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.