CID 337843

Benzothiazole, 2,2'-(2,6-dichlorobenzylidenediimino)di-

Structural Information

Molecular Formula
C21H14Cl2N4S2
SMILES
C1=CC=C2C(=C1)N=C(S2)NC(C3=C(C=CC=C3Cl)Cl)NC4=NC5=CC=CC=C5S4
InChI
InChI=1S/C21H14Cl2N4S2/c22-12-6-5-7-13(23)18(12)19(26-20-24-14-8-1-3-10-16(14)28-20)27-21-25-15-9-2-4-11-17(15)29-21/h1-11,19H,(H,24,26)(H,25,27)
InChIKey
VSQHCEWKCCCUDR-UHFFFAOYSA-N
Compound name
N,N'-bis(1,3-benzothiazol-2-yl)-1-(2,6-dichlorophenyl)methanediamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

456.0037 Da
Monoisotopic Mass

8.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 457.01098 198.1
[M+Na]+ 478.99292 215.5
[M+NH4]+ 474.03752 208.5
[M+K]+ 494.96686 204.1
[M-H]- 454.99642 206.5
[M+Na-2H]- 476.97837 208.4
[M]+ 456.00315 204.7
[M]- 456.00425 204.7
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.