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]+ 300.18190 170.8
[M+Na]+ 322.16384 180.6
[M-H]- 298.16734 174.7
[M+NH4]+ 317.20844 184.0
[M+K]+ 338.13778 176.6
[M+H-H2O]+ 282.17188 160.9
[M+HCOO]- 344.17282 192.2
[M+CH3COO]- 358.18847 182.2
[M+Na-2H]- 320.14929 174.6
[M]+ 299.17407 176.9
[M]- 299.17517 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.