CID 485827

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

Structural Information

Molecular Formula
C14H16N4OS
SMILES
CCC1=NC2=CC=CC=C2N1CC3=NN=C(O3)SCC
InChI
InChI=1S/C14H16N4OS/c1-3-12-15-10-7-5-6-8-11(10)18(12)9-13-16-17-14(19-13)20-4-2/h5-8H,3-4,9H2,1-2H3
InChIKey
PJQHDJPMYBJPEH-UHFFFAOYSA-N
Compound name
2-[(2-ethylbenzimidazol-1-yl)methyl]-5-ethylsulfanyl-1,3,4-oxadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

288.1045 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.11178 164.7
[M+Na]+ 311.09372 177.7
[M-H]- 287.09722 169.5
[M+NH4]+ 306.13832 180.0
[M+K]+ 327.06766 173.9
[M+H-H2O]+ 271.10176 157.0
[M+HCOO]- 333.10270 181.5
[M+CH3COO]- 347.11835 177.4
[M+Na-2H]- 309.07917 165.6
[M]+ 288.10395 173.3
[M]- 288.10505 173.3
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.