CID 485834

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

Structural Information

Molecular Formula
C17H21N5O
SMILES
CC1=NC2=CC=CC=C2N1CC3=NN=C(O3)NC4CCCCC4
InChI
InChI=1S/C17H21N5O/c1-12-18-14-9-5-6-10-15(14)22(12)11-16-20-21-17(23-16)19-13-7-3-2-4-8-13/h5-6,9-10,13H,2-4,7-8,11H2,1H3,(H,19,21)
InChIKey
UBYBPYIRGZSFNA-UHFFFAOYSA-N
Compound name
N-cyclohexyl-5-[(2-methylbenzimidazol-1-yl)methyl]-1,3,4-oxadiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

311.17462 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.18190 171.5
[M+Na]+ 334.16384 179.2
[M-H]- 310.16734 177.9
[M+NH4]+ 329.20844 183.4
[M+K]+ 350.13778 174.9
[M+H-H2O]+ 294.17188 160.7
[M+HCOO]- 356.17282 189.7
[M+CH3COO]- 370.18847 181.8
[M+Na-2H]- 332.14929 173.8
[M]+ 311.17407 171.2
[M]- 311.17517 171.2
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.