CID 6480658

N-(2-chlorophenyl)-5-[[2-(4-chlorophenyl)benzimidazol-1-yl]methyl]-1,3,4-thiadiazol-2-amine

Structural Information

Molecular Formula
C22H15Cl2N5S
SMILES
C1=CC=C2C(=C1)N=C(N2CC3=NN=C(S3)NC4=CC=CC=C4Cl)C5=CC=C(C=C5)Cl
InChI
InChI=1S/C22H15Cl2N5S/c23-15-11-9-14(10-12-15)21-25-18-7-3-4-8-19(18)29(21)13-20-27-28-22(30-20)26-17-6-2-1-5-16(17)24/h1-12H,13H2,(H,26,28)
InChIKey
CCFKZHSVNCYFLQ-UHFFFAOYSA-N
Compound name
N-(2-chlorophenyl)-5-[[2-(4-chlorophenyl)benzimidazol-1-yl]methyl]-1,3,4-thiadiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

451.0425 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 452.04978 202.6
[M+Na]+ 474.03172 215.9
[M-H]- 450.03522 212.2
[M+NH4]+ 469.07632 212.7
[M+K]+ 490.00566 206.1
[M+H-H2O]+ 434.03976 192.2
[M+HCOO]- 496.04070 210.8
[M+CH3COO]- 510.05635 212.2
[M+Na-2H]- 472.01717 201.9
[M]+ 451.04195 210.3
[M]- 451.04305 210.3
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.