CID 3001071

Nsc649048

Structural Information

Molecular Formula
C9H11N5OS2
SMILES
CC1=C(N2C=CSC2=N1)C(=O)NNC(=S)NC
InChI
InChI=1S/C9H11N5OS2/c1-5-6(7(15)12-13-8(16)10-2)14-3-4-17-9(14)11-5/h3-4H,1-2H3,(H,12,15)(H2,10,13,16)
InChIKey
QAGCSZMGRHTHGV-UHFFFAOYSA-N
Compound name
1-methyl-3-[(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

269.0405 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.04778 156.2
[M+Na]+ 292.02972 166.1
[M-H]- 268.03322 159.5
[M+NH4]+ 287.07432 175.2
[M+K]+ 308.00366 161.9
[M+H-H2O]+ 252.03776 150.2
[M+HCOO]- 314.03870 171.7
[M+CH3COO]- 328.05435 199.0
[M+Na-2H]- 290.01517 157.5
[M]+ 269.03995 159.8
[M]- 269.04105 159.8
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.