CID 6480650

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

Structural Information

Molecular Formula
C22H16ClN5S
SMILES
C1=CC=C(C=C1)NC2=NN=C(S2)CN3C4=CC=CC=C4N=C3C5=CC=C(C=C5)Cl
InChI
InChI=1S/C22H16ClN5S/c23-16-12-10-15(11-13-16)21-25-18-8-4-5-9-19(18)28(21)14-20-26-27-22(29-20)24-17-6-2-1-3-7-17/h1-13H,14H2,(H,24,27)
InChIKey
QTJWAONOUHMGEN-UHFFFAOYSA-N
Compound name
5-[[2-(4-chlorophenyl)benzimidazol-1-yl]methyl]-N-phenyl-1,3,4-thiadiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

417.08148 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 418.08876 195.2
[M+Na]+ 440.07070 207.8
[M-H]- 416.07420 205.5
[M+NH4]+ 435.11530 206.1
[M+K]+ 456.04464 198.3
[M+H-H2O]+ 400.07874 184.9
[M+HCOO]- 462.07968 208.8
[M+CH3COO]- 476.09533 205.6
[M+Na-2H]- 438.05615 196.2
[M]+ 417.08093 201.5
[M]- 417.08203 201.5
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.