CID 384497

Nsc674330

Structural Information

Molecular Formula
C9H10N4O
SMILES
CNN1C(=NNC1=O)C2=CC=CC=C2
InChI
InChI=1S/C9H10N4O/c1-10-13-8(11-12-9(13)14)7-5-3-2-4-6-7/h2-6,10H,1H3,(H,12,14)
InChIKey
YEECBPAPRCZEOD-UHFFFAOYSA-N
Compound name
4-(methylamino)-3-phenyl-1H-1,2,4-triazol-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

190.08546 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.092736 138.7
[M+Na]+ 213.074678 148.2
[M-H]- 189.078184 140.9
[M+NH4]+ 208.119283 155.1
[M+K]+ 229.048618 144.1
[M+H-H2O]+ 173.082720 130.1
[M+HCOO]- 235.083661 161.5
[M+CH3COO]- 249.099311 151.5
[M+Na-2H]- 211.060126 145.3
[M]+ 190.08491142 137.3
[M]- 190.08600858 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.