CID 485833

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

Structural Information

Molecular Formula
C16H21N5O
SMILES
CCCCNC1=NN=C(O1)CN2C3=CC=CC=C3N=C2CC
InChI
InChI=1S/C16H21N5O/c1-3-5-10-17-16-20-19-15(22-16)11-21-13-9-7-6-8-12(13)18-14(21)4-2/h6-9H,3-5,10-11H2,1-2H3,(H,17,20)
InChIKey
JZMPUAMAHBGIMQ-UHFFFAOYSA-N
Compound name
N-butyl-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

299.17462 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.181896 170.8
[M+Na]+ 322.163838 180.6
[M-H]- 298.167344 174.7
[M+NH4]+ 317.208443 184.0
[M+K]+ 338.137778 176.6
[M+H-H2O]+ 282.171880 160.9
[M+HCOO]- 344.172821 192.2
[M+CH3COO]- 358.188471 182.2
[M+Na-2H]- 320.149286 174.6
[M]+ 299.17407142 176.9
[M]- 299.17516858 176.9
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.