CID 387573

Nsc681530

Structural Information

Molecular Formula
C10H12N4O
SMILES
CC1=CC=C(C=C1)C2=NNC(=O)N2NC
InChI
InChI=1S/C10H12N4O/c1-7-3-5-8(6-4-7)9-12-13-10(15)14(9)11-2/h3-6,11H,1-2H3,(H,13,15)
InChIKey
WQXDSEFMALQLHW-UHFFFAOYSA-N
Compound name
4-(methylamino)-3-(4-methylphenyl)-1H-1,2,4-triazol-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

204.1011 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.10838 143.7
[M+Na]+ 227.09032 153.7
[M-H]- 203.09382 146.2
[M+NH4]+ 222.13492 159.9
[M+K]+ 243.06426 149.4
[M+H-H2O]+ 187.09836 135.2
[M+HCOO]- 249.09930 166.1
[M+CH3COO]- 263.11495 185.2
[M+Na-2H]- 225.07577 149.0
[M]+ 204.10055 143.0
[M]- 204.10165 143.0
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.