CID 3001074

1-butyl-3-[(6-methylimidazo[2,1-b]thiazole-5-carbonyl)amino]thiourea

Structural Information

Molecular Formula
C12H17N5OS2
SMILES
CCCCNC(=S)NNC(=O)C1=C(N=C2N1C=CS2)C
InChI
InChI=1S/C12H17N5OS2/c1-3-4-5-13-11(19)16-15-10(18)9-8(2)14-12-17(9)6-7-20-12/h6-7H,3-5H2,1-2H3,(H,15,18)(H2,13,16,19)
InChIKey
NZEZLZGNVWGEFR-UHFFFAOYSA-N
Compound name
1-butyl-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

311.08746 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.09474 168.4
[M+Na]+ 334.07668 176.9
[M-H]- 310.08018 171.1
[M+NH4]+ 329.12128 185.7
[M+K]+ 350.05062 172.1
[M+H-H2O]+ 294.08472 161.8
[M+HCOO]- 356.08566 182.9
[M+CH3COO]- 370.10131 207.7
[M+Na-2H]- 332.06213 168.5
[M]+ 311.08691 173.0
[M]- 311.08801 173.0
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.