CID 95842

2278-15-1

Structural Information

Molecular Formula

C₆H₇N₅O₂

SMILES

CN1C2=NNN=C2C(=O)N(C1=O)C

InChI

InChI=1S/C6H7N5O2/c1-10-4-3(7-9-8-4)5(12)11(2)6(10)13/h1-2H3,(H,7,8,9)

InChIKey

YSKBPNLSRKSFFI-UHFFFAOYSA-N

Compound name

4,6-dimethyl-2H-triazolo[4,5-d]pyrimidine-5,7-dione

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 4
References: 11
Patents: 181.05997 Da
Monoisotopic Mass: -0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	182.06725	136.0
[M+Na]+	204.04919	150.2
[M+NH4]+	199.09379	141.3
[M+K]+	220.02313	147.6
[M-H]-	180.05269	133.8
[M+Na-2H]-	202.03464	140.6
[M]+	181.05942	137.1
[M]-	181.06052	137.1

Literature stripe

literature stripe

Patent stripe

patents stripe