CID 485824

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

Structural Information

Molecular Formula
C13H14N4OS
SMILES
CCSC1=NN=C(O1)CN2C(=NC3=CC=CC=C32)C
InChI
InChI=1S/C13H14N4OS/c1-3-19-13-16-15-12(18-13)8-17-9(2)14-10-6-4-5-7-11(10)17/h4-7H,3,8H2,1-2H3
InChIKey
FUSKWZPIOKKOTB-UHFFFAOYSA-N
Compound name
2-ethylsulfanyl-5-[(2-methylbenzimidazol-1-yl)methyl]-1,3,4-oxadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

274.08884 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.09612 160.3
[M+Na]+ 297.07806 173.8
[M-H]- 273.08156 165.3
[M+NH4]+ 292.12266 176.1
[M+K]+ 313.05200 170.2
[M+H-H2O]+ 257.08610 152.8
[M+HCOO]- 319.08704 177.5
[M+CH3COO]- 333.10269 173.5
[M+Na-2H]- 295.06351 161.7
[M]+ 274.08829 168.7
[M]- 274.08939 168.7
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.