CID 6480652

{5-[2-(4-chloro-phenyl)-benzoimidazol-1-ylmethyl]-[1,3,4]thiadiazol-2-yl}-o-tolyl-amine

Structural Information

Molecular Formula
C23H18ClN5S
SMILES
CC1=CC=CC=C1NC2=NN=C(S2)CN3C4=CC=CC=C4N=C3C5=CC=C(C=C5)Cl
InChI
InChI=1S/C23H18ClN5S/c1-15-6-2-3-7-18(15)26-23-28-27-21(30-23)14-29-20-9-5-4-8-19(20)25-22(29)16-10-12-17(24)13-11-16/h2-13H,14H2,1H3,(H,26,28)
InChIKey
DOOPDJUPHUSBIH-UHFFFAOYSA-N
Compound name
5-[[2-(4-chlorophenyl)benzimidazol-1-yl]methyl]-N-(2-methylphenyl)-1,3,4-thiadiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

431.09714 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 432.10442 200.9
[M+Na]+ 454.08636 213.8
[M-H]- 430.08986 211.4
[M+NH4]+ 449.13096 211.4
[M+K]+ 470.06030 204.1
[M+H-H2O]+ 414.09440 190.6
[M+HCOO]- 476.09534 214.1
[M+CH3COO]- 490.11099 211.1
[M+Na-2H]- 452.07181 200.6
[M]+ 431.09659 207.9
[M]- 431.09769 207.9
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.