CID 3004205

Nsc636105

Structural Information

Molecular Formula
C13H15N3O2S
SMILES
CCC1=CC=CC=C1NC(=O)CCC2=NNC(=S)O2
InChI
InChI=1S/C13H15N3O2S/c1-2-9-5-3-4-6-10(9)14-11(17)7-8-12-15-16-13(19)18-12/h3-6H,2,7-8H2,1H3,(H,14,17)(H,16,19)
InChIKey
WWLJKDTZCZTUCM-UHFFFAOYSA-N
Compound name
N-(2-ethylphenyl)-3-(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

277.0885 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.09578 162.8
[M+Na]+ 300.07772 171.2
[M-H]- 276.08122 166.8
[M+NH4]+ 295.12232 176.5
[M+K]+ 316.05166 166.7
[M+H-H2O]+ 260.08576 155.0
[M+HCOO]- 322.08670 179.2
[M+CH3COO]- 336.10235 195.4
[M+Na-2H]- 298.06317 163.8
[M]+ 277.08795 165.1
[M]- 277.08905 165.1
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.