CID 3003173

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

Structural Information

Molecular Formula
C11H10N4OS
SMILES
CC1=NC2=CC=CC=C2N1CC3=NNC(=S)O3
InChI
InChI=1S/C11H10N4OS/c1-7-12-8-4-2-3-5-9(8)15(7)6-10-13-14-11(17)16-10/h2-5H,6H2,1H3,(H,14,17)
InChIKey
VTFABDFLRJQWAC-UHFFFAOYSA-N
Compound name
5-[(2-methylbenzimidazol-1-yl)methyl]-3H-1,3,4-oxadiazole-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

246.05753 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.06481 151.8
[M+Na]+ 269.04675 166.0
[M-H]- 245.05025 155.9
[M+NH4]+ 264.09135 168.1
[M+K]+ 285.02069 161.4
[M+H-H2O]+ 229.05479 145.1
[M+HCOO]- 291.05573 168.3
[M+CH3COO]- 305.07138 165.2
[M+Na-2H]- 267.03220 153.8
[M]+ 246.05698 157.1
[M]- 246.05808 157.1
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.