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 197.0
[M+Na]+ 478.99292 210.5
[M-H]- 454.99642 207.1
[M+NH4]+ 474.03752 211.3
[M+K]+ 494.96686 201.5
[M+H-H2O]+ 439.00096 191.5
[M+HCOO]- 501.00190 203.8
[M+CH3COO]- 515.01755 207.5
[M+Na-2H]- 476.97837 199.4
[M]+ 456.00315 206.8
[M]- 456.00425 206.8
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.