CID 485825

2-benzylsulfanyl-5-[(2-methylbenzimidazol-1-yl)methyl]-1,3,4-oxadiazole

Structural Information

Molecular Formula
C18H16N4OS
SMILES
CC1=NC2=CC=CC=C2N1CC3=NN=C(O3)SCC4=CC=CC=C4
InChI
InChI=1S/C18H16N4OS/c1-13-19-15-9-5-6-10-16(15)22(13)11-17-20-21-18(23-17)24-12-14-7-3-2-4-8-14/h2-10H,11-12H2,1H3
InChIKey
ZYZSNEZROCUFHS-UHFFFAOYSA-N
Compound name
2-benzylsulfanyl-5-[(2-methylbenzimidazol-1-yl)methyl]-1,3,4-oxadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

336.1045 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.111776 176.5
[M+Na]+ 359.093718 189.3
[M-H]- 335.097224 184.5
[M+NH4]+ 354.138323 189.3
[M+K]+ 375.067658 183.9
[M+H-H2O]+ 319.101760 167.8
[M+HCOO]- 381.102701 193.5
[M+CH3COO]- 395.118351 188.5
[M+Na-2H]- 357.079166 177.6
[M]+ 336.10395142 184.0
[M]- 336.10504858 184.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.