CID 9572069

Nsc698273

Structural Information

Molecular Formula
C13H9Cl3N6S
SMILES
C1=CC(=C(C(=C1C2=C(N3C=CSC3=N2)/C=N/N=C(N)N)Cl)Cl)Cl
InChI
InChI=1S/C13H9Cl3N6S/c14-7-2-1-6(9(15)10(7)16)11-8(5-19-21-12(17)18)22-3-4-23-13(22)20-11/h1-5H,(H4,17,18,21)/b19-5+
InChIKey
PJJNZHBVRPFKFT-PTXOJBNSSA-N
Compound name
2-[(E)-[6-(2,3,4-trichlorophenyl)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

385.9675 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 386.97478 190.2
[M+Na]+ 408.95672 202.4
[M-H]- 384.96022 196.9
[M+NH4]+ 404.00132 206.0
[M+K]+ 424.93066 195.1
[M+H-H2O]+ 368.96476 183.6
[M+HCOO]- 430.96570 199.4
[M+CH3COO]- 444.98135 200.6
[M+Na-2H]- 406.94217 188.5
[M]+ 385.96695 196.1
[M]- 385.96805 196.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.