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 161.0
[M+Na]+ 288.08740 169.8
[M-H]- 264.09090 166.9
[M+NH4]+ 283.13200 176.6
[M+K]+ 304.06134 166.9
[M+H-H2O]+ 248.09544 152.2
[M+HCOO]- 310.09638 179.8
[M+CH3COO]- 324.11203 200.5
[M+Na-2H]- 286.07285 165.1
[M]+ 265.09763 166.7
[M]- 265.09873 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.