CID 384783

Nsc675218

Structural Information

Molecular Formula
C9H10N4O
SMILES
CC1=NNC(=O)N1NC2=CC=CC=C2
InChI
InChI=1S/C9H10N4O/c1-7-10-11-9(14)13(7)12-8-5-3-2-4-6-8/h2-6,12H,1H3,(H,11,14)
InChIKey
UKYSDDJUIYHEHO-UHFFFAOYSA-N
Compound name
4-anilino-3-methyl-1H-1,2,4-triazol-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

190.08546 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.09274 138.7
[M+Na]+ 213.07468 148.2
[M-H]- 189.07818 140.9
[M+NH4]+ 208.11928 155.1
[M+K]+ 229.04862 144.1
[M+H-H2O]+ 173.08272 130.1
[M+HCOO]- 235.08366 161.5
[M+CH3COO]- 249.09931 151.5
[M+Na-2H]- 211.06013 145.3
[M]+ 190.08491 137.3
[M]- 190.08601 137.3
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.