CID 9555900

Nsc649050

Structural Information

Molecular Formula
C11H11N5O2S2
SMILES
CC1=C(N2C=CSC2=N1)C(=O)N/N=C/3\N(C(=O)CS3)C
InChI
InChI=1S/C11H11N5O2S2/c1-6-8(16-3-4-19-10(16)12-6)9(18)13-14-11-15(2)7(17)5-20-11/h3-4H,5H2,1-2H3,(H,13,18)/b14-11+
InChIKey
HNKRQBARRWSIPV-SDNWHVSQSA-N
Compound name
6-methyl-N-[(E)-(3-methyl-4-oxo-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

309.03543 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.04271 168.5
[M+Na]+ 332.02465 180.6
[M-H]- 308.02815 176.0
[M+NH4]+ 327.06925 187.6
[M+K]+ 347.99859 177.3
[M+H-H2O]+ 292.03269 163.3
[M+HCOO]- 354.03363 184.2
[M+CH3COO]- 368.04928 181.1
[M+Na-2H]- 330.01010 166.0
[M]+ 309.03488 174.5
[M]- 309.03598 174.5
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.