CID 485835

N-cyclohexyl-5-[(2-ethylbenzimidazol-1-yl)methyl]-1,3,4-oxadiazol-2-amine

Structural Information

Molecular Formula
C18H23N5O
SMILES
CCC1=NC2=CC=CC=C2N1CC3=NN=C(O3)NC4CCCCC4
InChI
InChI=1S/C18H23N5O/c1-2-16-20-14-10-6-7-11-15(14)23(16)12-17-21-22-18(24-17)19-13-8-4-3-5-9-13/h6-7,10-11,13H,2-5,8-9,12H2,1H3,(H,19,22)
InChIKey
ZQWIJTKIKXTHGA-UHFFFAOYSA-N
Compound name
N-cyclohexyl-5-[(2-ethylbenzimidazol-1-yl)methyl]-1,3,4-oxadiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

325.19025 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.19753 175.9
[M+Na]+ 348.17947 183.1
[M-H]- 324.18297 182.0
[M+NH4]+ 343.22407 187.2
[M+K]+ 364.15341 178.5
[M+H-H2O]+ 308.18751 164.8
[M+HCOO]- 370.18845 193.7
[M+CH3COO]- 384.20410 185.7
[M+Na-2H]- 346.16492 177.7
[M]+ 325.18970 175.9
[M]- 325.19080 175.9
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.