CID 5747923

Brn 5948921

Structural Information

Molecular Formula
C6H5ClN4OS
SMILES
C1=CSC2=NC(=C(N21)/C(=N/O)/N)Cl
InChI
InChI=1S/C6H5ClN4OS/c7-4-3(5(8)10-12)11-1-2-13-6(11)9-4/h1-2,12H,(H2,8,10)
InChIKey
FOFGRDNGIBPLFM-UHFFFAOYSA-N
Compound name
6-chloro-N'-hydroxyimidazo[2,1-b][1,3]thiazole-5-carboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

215.98726 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.99454 140.8
[M+Na]+ 238.97648 151.0
[M+NH4]+ 234.02108 148.8
[M+K]+ 254.95042 147.7
[M-H]- 214.97998 141.7
[M+Na-2H]- 236.96193 144.8
[M]+ 215.98671 142.8
[M]- 215.98781 142.8
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.