CID 57131

Af 521

Structural Information

Molecular Formula
C13H17N3O
SMILES
CCN(CC)CC1=NC(=NO1)C2=CC=CC=C2
InChI
InChI=1S/C13H17N3O/c1-3-16(4-2)10-12-14-13(15-17-12)11-8-6-5-7-9-11/h5-9H,3-4,10H2,1-2H3
InChIKey
WBUNNBSMSHEHOH-UHFFFAOYSA-N
Compound name
N-ethyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

231.13716 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.14444 153.1
[M+Na]+ 254.12638 160.4
[M-H]- 230.12988 159.1
[M+NH4]+ 249.17098 169.1
[M+K]+ 270.10032 159.4
[M+H-H2O]+ 214.13442 144.0
[M+HCOO]- 276.13536 176.8
[M+CH3COO]- 290.15101 195.7
[M+Na-2H]- 252.11183 158.8
[M]+ 231.13661 156.6
[M]- 231.13771 156.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe