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]+ 337.11178 176.5
[M+Na]+ 359.09372 189.3
[M-H]- 335.09722 184.5
[M+NH4]+ 354.13832 189.3
[M+K]+ 375.06766 183.9
[M+H-H2O]+ 319.10176 167.8
[M+HCOO]- 381.10270 193.5
[M+CH3COO]- 395.11835 188.5
[M+Na-2H]- 357.07917 177.6
[M]+ 336.10395 184.0
[M]- 336.10505 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.