CID 485839

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

Structural Information

Molecular Formula
C18H17N5O
SMILES
CCC1=NC2=CC=CC=C2N1CC3=NN=C(O3)NC4=CC=CC=C4
InChI
InChI=1S/C18H17N5O/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/h3-11H,2,12H2,1H3,(H,19,22)
InChIKey
ZVRJFXRBPVPLJT-UHFFFAOYSA-N
Compound name
5-[(2-ethylbenzimidazol-1-yl)methyl]-N-phenyl-1,3,4-oxadiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

319.1433 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.15058 172.7
[M+Na]+ 342.13252 183.0
[M-H]- 318.13602 180.1
[M+NH4]+ 337.17712 184.4
[M+K]+ 358.10646 177.8
[M+H-H2O]+ 302.14056 162.0
[M+HCOO]- 364.14150 194.7
[M+CH3COO]- 378.15715 184.2
[M+Na-2H]- 340.11797 177.5
[M]+ 319.14275 176.9
[M]- 319.14385 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.