CID 9571913

Nsc670876

Structural Information

Molecular Formula
C13H11ClN6S
SMILES
C1=CC(=CC=C1C2=C(N3C=CSC3=N2)/C=N/N=C(N)N)Cl
InChI
InChI=1S/C13H11ClN6S/c14-9-3-1-8(2-4-9)11-10(7-17-19-12(15)16)20-5-6-21-13(20)18-11/h1-7H,(H4,15,16,19)/b17-7+
InChIKey
QUFIDJYMFMLYOI-REZTVBANSA-N
Compound name
2-[(E)-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

318.04544 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.05272 170.5
[M+Na]+ 341.03466 181.6
[M-H]- 317.03816 179.0
[M+NH4]+ 336.07926 188.5
[M+K]+ 357.00860 175.6
[M+H-H2O]+ 301.04270 162.7
[M+HCOO]- 363.04364 190.9
[M+CH3COO]- 377.05929 183.0
[M+Na-2H]- 339.02011 172.8
[M]+ 318.04489 175.0
[M]- 318.04599 175.0
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.