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]+ 266.105456 161.0
[M+Na]+ 288.087398 169.8
[M-H]- 264.090904 166.9
[M+NH4]+ 283.132003 176.6
[M+K]+ 304.061338 166.9
[M+H-H2O]+ 248.095440 152.2
[M+HCOO]- 310.096381 179.8
[M+CH3COO]- 324.112031 200.5
[M+Na-2H]- 286.072846 165.1
[M]+ 265.09763142 166.7
[M]- 265.09872858 166.7
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.