CID 3003174

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

Structural Information

Molecular Formula
C12H12N4OS
SMILES
CCC1=NC2=CC=CC=C2N1CC3=NNC(=S)O3
InChI
InChI=1S/C12H12N4OS/c1-2-10-13-8-5-3-4-6-9(8)16(10)7-11-14-15-12(18)17-11/h3-6H,2,7H2,1H3,(H,15,18)
InChIKey
IRAUETIBSBSEJU-UHFFFAOYSA-N
Compound name
5-[(2-ethylbenzimidazol-1-yl)methyl]-3H-1,3,4-oxadiazole-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

260.07318 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.08046 156.1
[M+Na]+ 283.06240 169.9
[M-H]- 259.06590 160.1
[M+NH4]+ 278.10700 171.9
[M+K]+ 299.03634 165.1
[M+H-H2O]+ 243.07044 149.2
[M+HCOO]- 305.07138 172.3
[M+CH3COO]- 319.08703 169.1
[M+Na-2H]- 281.04785 157.7
[M]+ 260.07263 161.8
[M]- 260.07373 161.8
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.