CID 485837

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

Structural Information

Molecular Formula
C19H19N5O
SMILES
CCC1=NC2=CC=CC=C2N1CC3=NN=C(O3)NCC4=CC=CC=C4
InChI
InChI=1S/C19H19N5O/c1-2-17-21-15-10-6-7-11-16(15)24(17)13-18-22-23-19(25-18)20-12-14-8-4-3-5-9-14/h3-11H,2,12-13H2,1H3,(H,20,23)
InChIKey
AZVPESSJTGPGRB-UHFFFAOYSA-N
Compound name
N-benzyl-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

333.15897 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.16625 177.1
[M+Na]+ 356.14819 186.9
[M-H]- 332.15169 184.3
[M+NH4]+ 351.19279 188.3
[M+K]+ 372.12213 181.5
[M+H-H2O]+ 316.15623 166.2
[M+HCOO]- 378.15717 198.7
[M+CH3COO]- 392.17282 188.1
[M+Na-2H]- 354.13364 181.4
[M]+ 333.15842 181.6
[M]- 333.15952 181.6
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.