CID 154577624

1-methyl-4-(1h-pyrazol-5-yl)-1,2,4-triazolidine-3,5-dione

Structural Information

Molecular Formula
C6H7N5O2
SMILES
CN1C(=O)N(C(=O)N1)C2=CC=NN2
InChI
InChI=1S/C6H7N5O2/c1-10-6(13)11(5(12)9-10)4-2-3-7-8-4/h2-3H,1H3,(H,7,8)(H,9,12)
InChIKey
JVXPDSZSYMAZFM-UHFFFAOYSA-N
Compound name
1-methyl-4-(1H-pyrazol-5-yl)-1,2,4-triazolidine-3,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

181.05997 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.06725 134.4
[M+Na]+ 204.04919 147.4
[M-H]- 180.05269 134.1
[M+NH4]+ 199.09379 150.1
[M+K]+ 220.02313 143.3
[M+H-H2O]+ 164.05723 126.1
[M+HCOO]- 226.05817 155.3
[M+CH3COO]- 240.07382 147.6
[M+Na-2H]- 202.03464 138.5
[M]+ 181.05942 135.1
[M]- 181.06052 135.1
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.