CID 3078298

Thiourea, n-(2,3,5,6,7,8-hexahydro-3-oxo-1,2,4-triazolo(4,3-a)pyrimidin-2-yl)-

Structural Information

Molecular Formula
C6H10N6OS
SMILES
C1CNC2=NN(C(=O)N2C1)NC(=S)N
InChI
InChI=1S/C6H10N6OS/c7-4(14)9-12-6(13)11-3-1-2-8-5(11)10-12/h1-3H2,(H,8,10)(H3,7,9,14)
InChIKey
VJIJSJKISRXBMY-UHFFFAOYSA-N
Compound name
(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrimidin-2-yl)thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

214.06367 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.07095 142.7
[M+Na]+ 237.05289 150.4
[M+NH4]+ 232.09749 148.3
[M+K]+ 253.02683 147.2
[M-H]- 213.05639 141.4
[M+Na-2H]- 235.03834 144.3
[M]+ 214.06312 143.2
[M]- 214.06422 143.2
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.