CID 485828

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

Structural Information

Molecular Formula
C19H18N4OS
SMILES
CCC1=NC2=CC=CC=C2N1CC3=NN=C(O3)SCC4=CC=CC=C4
InChI
InChI=1S/C19H18N4OS/c1-2-17-20-15-10-6-7-11-16(15)23(17)12-18-21-22-19(24-18)25-13-14-8-4-3-5-9-14/h3-11H,2,12-13H2,1H3
InChIKey
JKJMGSRJVZCAIO-UHFFFAOYSA-N
Compound name
2-benzylsulfanyl-5-[(2-ethylbenzimidazol-1-yl)methyl]-1,3,4-oxadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

350.12012 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.12740 180.8
[M+Na]+ 373.10934 193.0
[M-H]- 349.11284 188.6
[M+NH4]+ 368.15394 193.0
[M+K]+ 389.08328 187.5
[M+H-H2O]+ 333.11738 171.9
[M+HCOO]- 395.11832 197.4
[M+CH3COO]- 409.13397 192.4
[M+Na-2H]- 371.09479 181.4
[M]+ 350.11957 188.5
[M]- 350.12067 188.5
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.