CID 3001072

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

Structural Information

Molecular Formula
C10H13N5OS2
SMILES
CCNC(=S)NNC(=O)C1=C(N=C2N1C=CS2)C
InChI
InChI=1S/C10H13N5OS2/c1-3-11-9(17)14-13-8(16)7-6(2)12-10-15(7)4-5-18-10/h4-5H,3H2,1-2H3,(H,13,16)(H2,11,14,17)
InChIKey
XMDLXPWETBTDCB-UHFFFAOYSA-N
Compound name
1-ethyl-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

283.05615 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.06343 160.3
[M+Na]+ 306.04537 169.7
[M-H]- 282.04887 163.4
[M+NH4]+ 301.08997 178.7
[M+K]+ 322.01931 165.4
[M+H-H2O]+ 266.05341 154.1
[M+HCOO]- 328.05435 175.5
[M+CH3COO]- 342.07000 201.9
[M+Na-2H]- 304.03082 161.2
[M]+ 283.05560 164.2
[M]- 283.05670 164.2
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.