CID 6156692

Nsc649051

Structural Information

Molecular Formula
C13H13N5O2S2
SMILES
CC1=C(N2C=CSC2=N1)C(=O)N/N=C/3\N(C(=O)CS3)CC=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/h3,5-6H,1,4,7H2,2H3,(H,15,20)/b16-13+
InChIKey
YSMVOWTZKQKSHF-DTQAZKPQSA-N
Compound name
6-methyl-N-[(E)-(4-oxo-3-prop-2-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

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.05834 176.8
[M+Na]+ 358.04028 188.1
[M-H]- 334.04378 183.9
[M+NH4]+ 353.08488 194.7
[M+K]+ 374.01422 183.8
[M+H-H2O]+ 318.04832 171.3
[M+HCOO]- 380.04926 191.9
[M+CH3COO]- 394.06491 188.5
[M+Na-2H]- 356.02573 173.3
[M]+ 335.05051 182.6
[M]- 335.05161 182.6
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.