CID 6480654

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

Structural Information

Molecular Formula
C22H15ClFN5S
SMILES
C1=CC=C2C(=C1)N=C(N2CC3=NN=C(S3)NC4=CC(=CC=C4)F)C5=CC=C(C=C5)Cl
InChI
InChI=1S/C22H15ClFN5S/c23-15-10-8-14(9-11-15)21-26-18-6-1-2-7-19(18)29(21)13-20-27-28-22(30-20)25-17-5-3-4-16(24)12-17/h1-12H,13H2,(H,25,28)
InChIKey
IYYSNVBKOYWIRO-UHFFFAOYSA-N
Compound name
5-[[2-(4-chlorophenyl)benzimidazol-1-yl]methyl]-N-(3-fluorophenyl)-1,3,4-thiadiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

435.07208 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 436.07936 198.2
[M+Na]+ 458.06130 211.6
[M-H]- 434.06480 207.5
[M+NH4]+ 453.10590 208.5
[M+K]+ 474.03524 201.6
[M+H-H2O]+ 418.06934 187.1
[M+HCOO]- 480.07028 210.7
[M+CH3COO]- 494.08593 208.3
[M+Na-2H]- 456.04675 197.9
[M]+ 435.07153 204.1
[M]- 435.07263 204.1
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.