CID 9572071

Nsc698274

Structural Information

Molecular Formula
C13H10Cl2N6S
SMILES
C1=CC(=CC=C1C2=C(N3C=C(SC3=N2)Cl)/C=N/N=C(N)N)Cl
InChI
InChI=1S/C13H10Cl2N6S/c14-8-3-1-7(2-4-8)11-9(5-18-20-12(16)17)21-6-10(15)22-13(21)19-11/h1-6H,(H4,16,17,20)/b18-5+
InChIKey
APAGHGRQPZBKBY-BLLMUTORSA-N
Compound name
2-[(E)-[2-chloro-6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

352.00647 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.01375 180.7
[M+Na]+ 374.99569 192.6
[M-H]- 350.99919 188.6
[M+NH4]+ 370.04029 197.8
[M+K]+ 390.96963 185.7
[M+H-H2O]+ 335.00373 173.5
[M+HCOO]- 397.00467 195.7
[M+CH3COO]- 411.02032 192.3
[M+Na-2H]- 372.98114 181.1
[M]+ 352.00592 186.4
[M]- 352.00702 186.4
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.