CID 3005852

Nsc649049

Structural Information

Molecular Formula
C11H13N5OS2
SMILES
CC1=C(N2C=CSC2=N1)C(=O)NNC(=S)NCC=C
InChI
InChI=1S/C11H13N5OS2/c1-3-4-12-10(18)15-14-9(17)8-7(2)13-11-16(8)5-6-19-11/h3,5-6H,1,4H2,2H3,(H,14,17)(H2,12,15,18)
InChIKey
KONGQTGALJUHGP-UHFFFAOYSA-N
Compound name
1-[(6-methylimidazo[2,1-b][1,3]thiazole-5-carbonyl)amino]-3-prop-2-enylthiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

295.05615 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.06343 164.5
[M+Na]+ 318.04537 173.7
[M-H]- 294.04887 167.4
[M+NH4]+ 313.08997 182.3
[M+K]+ 334.01931 168.5
[M+H-H2O]+ 278.05341 158.1
[M+HCOO]- 340.05435 179.5
[M+CH3COO]- 354.07000 204.0
[M+Na-2H]- 316.03082 164.9
[M]+ 295.05560 168.0
[M]- 295.05670 168.0
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.