CID 3001070

Nsc649047

Structural Information

Molecular Formula
C8H9N5OS2
SMILES
CC1=C(N2C=CSC2=N1)C(=O)NNC(=S)N
InChI
InChI=1S/C8H9N5OS2/c1-4-5(6(14)11-12-7(9)15)13-2-3-16-8(13)10-4/h2-3H,1H3,(H,11,14)(H3,9,12,15)
InChIKey
VEOUHRNDOUGUKE-UHFFFAOYSA-N
Compound name
[(6-methylimidazo[2,1-b][1,3]thiazole-5-carbonyl)amino]thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

255.02486 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.03214 151.6
[M+Na]+ 278.01408 161.8
[M-H]- 254.01758 154.5
[M+NH4]+ 273.05868 170.8
[M+K]+ 293.98802 157.6
[M+H-H2O]+ 238.02212 145.7
[M+HCOO]- 300.02306 166.8
[M+CH3COO]- 314.03871 196.2
[M+Na-2H]- 275.99953 152.4
[M]+ 255.02431 154.0
[M]- 255.02541 154.0
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.