CID 700998

2-amino-7-methyl-5h-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one

Structural Information

Molecular Formula
C6H6N4OS
SMILES
CC1=CC(=O)N2C(=N1)SC(=N2)N
InChI
InChI=1S/C6H6N4OS/c1-3-2-4(11)10-6(8-3)12-5(7)9-10/h2H,1H3,(H2,7,9)
InChIKey
BUKDQMJGUPDVST-UHFFFAOYSA-N
Compound name
2-amino-7-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

182.02623 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.03351 132.7
[M+Na]+ 205.01545 146.8
[M-H]- 181.01895 134.9
[M+NH4]+ 200.06005 152.6
[M+K]+ 220.98939 142.8
[M+H-H2O]+ 165.02349 126.4
[M+HCOO]- 227.02443 152.2
[M+CH3COO]- 241.04008 147.3
[M+Na-2H]- 203.00090 138.0
[M]+ 182.02568 136.8
[M]- 182.02678 136.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.