CID 6480660

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

Structural Information

Molecular Formula
C22H15BrClN5S
SMILES
C1=CC=C2C(=C1)N=C(N2CC3=NN=C(S3)NC4=CC(=CC=C4)Br)C5=CC=C(C=C5)Cl
InChI
InChI=1S/C22H15BrClN5S/c23-15-4-3-5-17(12-15)25-22-28-27-20(30-22)13-29-19-7-2-1-6-18(19)26-21(29)14-8-10-16(24)11-9-14/h1-12H,13H2,(H,25,28)
InChIKey
YLNXYKYFWLSYKE-UHFFFAOYSA-N
Compound name
N-(3-bromophenyl)-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

494.992 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 495.99928 196.1
[M+Na]+ 517.98122 212.0
[M-H]- 493.98472 209.1
[M+NH4]+ 513.02582 208.6
[M+K]+ 533.95516 196.8
[M+H-H2O]+ 477.98926 194.2
[M+HCOO]- 539.99020 208.4
[M+CH3COO]- 554.00585 208.6
[M+Na-2H]- 515.96667 198.6
[M]+ 494.99145 220.9
[M]- 494.99255 220.9
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.