CID 57088

Af 511

Structural Information

Molecular Formula
C13H16ClN3O
SMILES
CCN(CC)CC1=NC(=NO1)C2=CC=C(C=C2)Cl
InChI
InChI=1S/C13H16ClN3O/c1-3-17(4-2)9-12-15-13(16-18-12)10-5-7-11(14)8-6-10/h5-8H,3-4,9H2,1-2H3
InChIKey
NKWWYQOSNCMRMA-UHFFFAOYSA-N
Compound name
N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-ethylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

265.09818 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.10546 159.4
[M+Na]+ 288.08740 173.5
[M+NH4]+ 283.13200 167.5
[M+K]+ 304.06134 168.0
[M-H]- 264.09090 164.4
[M+Na-2H]- 286.07285 167.1
[M]+ 265.09763 163.1
[M]- 265.09873 163.1
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

No patent data available for this compound.