CID 337842

Benzothiazole, 2,2'-(o-chlorobenzylidenediimino)di-

Structural Information

Molecular Formula
C21H15ClN4S2
SMILES
C1=CC=C(C(=C1)C(NC2=NC3=CC=CC=C3S2)NC4=NC5=CC=CC=C5S4)Cl
InChI
InChI=1S/C21H15ClN4S2/c22-14-8-2-1-7-13(14)19(25-20-23-15-9-3-5-11-17(15)27-20)26-21-24-16-10-4-6-12-18(16)28-21/h1-12,19H,(H,23,25)(H,24,26)
InChIKey
SJSQHRNOQKHIIE-UHFFFAOYSA-N
Compound name
N,N'-bis(1,3-benzothiazol-2-yl)-1-(2-chlorophenyl)methanediamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

422.04266 Da
Monoisotopic Mass

7.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 423.04994 189.6
[M+Na]+ 445.03188 202.5
[M-H]- 421.03538 200.2
[M+NH4]+ 440.07648 204.6
[M+K]+ 461.00582 193.7
[M+H-H2O]+ 405.03992 183.7
[M+HCOO]- 467.04086 201.5
[M+CH3COO]- 481.05651 200.8
[M+Na-2H]- 443.01733 193.6
[M]+ 422.04211 197.8
[M]- 422.04321 197.8
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.