CID 9571917

Nsc670878

Structural Information

Molecular Formula
C13H13ClN6S
SMILES
C1CSC2=NC(=C(N21)/C=N/N=C(N)N)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C13H13ClN6S/c14-9-3-1-8(2-4-9)11-10(7-17-19-12(15)16)20-5-6-21-13(20)18-11/h1-4,7H,5-6H2,(H4,15,16,19)/b17-7+
InChIKey
QHDPJLIWQSHHAV-REZTVBANSA-N
Compound name
2-[(E)-[6-(4-chlorophenyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

320.0611 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.06838 171.5
[M+Na]+ 343.05032 180.6
[M-H]- 319.05382 179.2
[M+NH4]+ 338.09492 189.2
[M+K]+ 359.02426 175.0
[M+H-H2O]+ 303.05836 163.7
[M+HCOO]- 365.05930 189.1
[M+CH3COO]- 379.07495 183.0
[M+Na-2H]- 341.03577 172.1
[M]+ 320.06055 173.2
[M]- 320.06165 173.2
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.