CID 3069267

Thiourea, n-(4-((5-chloro-1h-benzimidazol-2-yl)methoxy)phenyl)-n'-(4-chlorophenyl)-

Structural Information

Molecular Formula
C21H16Cl2N4OS
SMILES
C1=CC(=CC=C1NC(=S)NC2=CC=C(C=C2)Cl)OCC3=NC4=C(N3)C=C(C=C4)Cl
InChI
InChI=1S/C21H16Cl2N4OS/c22-13-1-4-15(5-2-13)24-21(29)25-16-6-8-17(9-7-16)28-12-20-26-18-10-3-14(23)11-19(18)27-20/h1-11H,12H2,(H,26,27)(H2,24,25,29)
InChIKey
FSLZWXPYAARKEL-UHFFFAOYSA-N
Compound name
1-[4-[(6-chloro-1H-benzimidazol-2-yl)methoxy]phenyl]-3-(4-chlorophenyl)thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

442.04218 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 443.04946 201.4
[M+Na]+ 465.03140 217.7
[M+NH4]+ 460.07600 209.6
[M+K]+ 481.00534 207.1
[M-H]- 441.03490 208.1
[M+Na-2H]- 463.01685 210.9
[M]+ 442.04163 206.7
[M]- 442.04273 206.7
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.