CID 3001073

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

Structural Information

Molecular Formula
C11H15N5OS2
SMILES
CCCNC(=S)NNC(=O)C1=C(N=C2N1C=CS2)C
InChI
InChI=1S/C11H15N5OS2/c1-3-4-12-10(18)15-14-9(17)8-7(2)13-11-16(8)5-6-19-11/h5-6H,3-4H2,1-2H3,(H,14,17)(H2,12,15,18)
InChIKey
LUDYATNKIDHEJG-UHFFFAOYSA-N
Compound name
1-[(6-methylimidazo[2,1-b][1,3]thiazole-5-carbonyl)amino]-3-propylthiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

297.0718 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.07908 164.4
[M+Na]+ 320.06102 173.3
[M-H]- 296.06452 167.3
[M+NH4]+ 315.10562 182.2
[M+K]+ 336.03496 168.8
[M+H-H2O]+ 280.06906 158.0
[M+HCOO]- 342.07000 179.2
[M+CH3COO]- 356.08565 204.8
[M+Na-2H]- 318.04647 164.8
[M]+ 297.07125 168.6
[M]- 297.07235 168.6
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.