CID 9571911

Nsc670875

Structural Information

Molecular Formula
C7H7ClN6S
SMILES
C1=CSC2=NC(=C(N21)/C=N/N=C(N)N)Cl
InChI
InChI=1S/C7H7ClN6S/c8-5-4(3-11-13-6(9)10)14-1-2-15-7(14)12-5/h1-3H,(H4,9,10,13)/b11-3+
InChIKey
DOOZMNFZRWBVHR-QDEBKDIKSA-N
Compound name
2-[(E)-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

242.01414 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.02142 149.3
[M+Na]+ 265.00336 160.6
[M-H]- 241.00686 154.6
[M+NH4]+ 260.04796 170.3
[M+K]+ 280.97730 156.5
[M+H-H2O]+ 225.01140 142.3
[M+HCOO]- 287.01234 170.0
[M+CH3COO]- 301.02799 162.9
[M+Na-2H]- 262.98881 152.6
[M]+ 242.01359 153.1
[M]- 242.01469 153.1
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.