CID 9574635

6-methyl-n-[(e)-[4-oxo-3-[(e)-prop-1-enyl]thiazolidin-2-ylidene]amino]imidazo[2,1-b]thiazole-5-carboxamide

Structural Information

Molecular Formula
C13H13N5O2S2
SMILES
C/C=C/N\1C(=O)CS/C1=N/NC(=O)C2=C(N=C3N2C=CS3)C
InChI
InChI=1S/C13H13N5O2S2/c1-3-4-17-9(19)7-22-13(17)16-15-11(20)10-8(2)14-12-18(10)5-6-21-12/h3-6H,7H2,1-2H3,(H,15,20)/b4-3+,16-13+
InChIKey
KYHNITOGVWLNJZ-KQQNAHMPSA-N
Compound name
6-methyl-N-[(E)-[4-oxo-3-[(E)-prop-1-enyl]-1,3-thiazolidin-2-ylidene]amino]imidazo[2,1-b][1,3]thiazole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

335.05106 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.05834 177.1
[M+Na]+ 358.04028 188.5
[M-H]- 334.04378 184.2
[M+NH4]+ 353.08488 195.1
[M+K]+ 374.01422 184.3
[M+H-H2O]+ 318.04832 171.6
[M+HCOO]- 380.04926 192.3
[M+CH3COO]- 394.06491 188.9
[M+Na-2H]- 356.02573 173.6
[M]+ 335.05051 182.9
[M]- 335.05161 182.9
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.