CID 9600409

Citco

Structural Information

Molecular Formula
C19H12Cl3N3OS
SMILES
C1=CC(=CC=C1C2=C(N3C=CSC3=N2)/C=N/OCC4=CC(=C(C=C4)Cl)Cl)Cl
InChI
InChI=1S/C19H12Cl3N3OS/c20-14-4-2-13(3-5-14)18-17(25-7-8-27-19(25)24-18)10-23-26-11-12-1-6-15(21)16(22)9-12/h1-10H,11H2/b23-10+
InChIKey
ZQWBOKJVVYNKTL-AUEPDCJTSA-N
Compound name
(E)-1-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-N-[(3,4-dichlorophenyl)methoxy]methanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

107
References

228
Patents

434.97665 Da
Monoisotopic Mass

7.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 435.98393 201.4
[M+Na]+ 457.96587 214.9
[M-H]- 433.96937 210.5
[M+NH4]+ 453.01047 215.9
[M+K]+ 473.93981 206.8
[M+H-H2O]+ 417.97391 193.5
[M+HCOO]- 479.97485 208.0
[M+CH3COO]- 493.99050 211.9
[M+Na-2H]- 455.95132 199.1
[M]+ 434.97610 211.8
[M]- 434.97720 211.8
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

patents stripe