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 141.5
[M+Na]+ 238.97648 153.8
[M-H]- 214.97998 144.9
[M+NH4]+ 234.02108 163.2
[M+K]+ 254.95042 149.7
[M+H-H2O]+ 198.98452 136.2
[M+HCOO]- 260.98546 158.4
[M+CH3COO]- 275.00111 155.5
[M+Na-2H]- 236.96193 144.2
[M]+ 215.98671 145.9
[M]- 215.98781 145.9
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.