CID 676429

Brn 4313368

Structural Information

Molecular Formula
C6H6N4OS
SMILES
CC1=NN2C(=N)CC(=O)N=C2S1
InChI
InChI=1S/C6H6N4OS/c1-3-9-10-4(7)2-5(11)8-6(10)12-3/h7H,2H2,1H3
InChIKey
RJNJZXXILMUNNE-UHFFFAOYSA-N
Compound name
5-imino-2-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

182.02623 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.03351 135.2
[M+Na]+ 205.01545 146.4
[M-H]- 181.01895 136.7
[M+NH4]+ 200.06005 154.9
[M+K]+ 220.98939 143.0
[M+H-H2O]+ 165.02349 128.8
[M+HCOO]- 227.02443 151.2
[M+CH3COO]- 241.04008 148.5
[M+Na-2H]- 203.00090 138.6
[M]+ 182.02568 135.4
[M]- 182.02678 135.4
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.