CID 3004202

Nsc636102

Structural Information

Molecular Formula
C11H9Cl2N3O2S
SMILES
C1=CC(=C(C=C1Cl)NC(=O)CCC2=NNC(=S)O2)Cl
InChI
InChI=1S/C11H9Cl2N3O2S/c12-6-1-2-7(13)8(5-6)14-9(17)3-4-10-15-16-11(19)18-10/h1-2,5H,3-4H2,(H,14,17)(H,16,19)
InChIKey
CFUTVILZFDELSE-UHFFFAOYSA-N
Compound name
N-(2,5-dichlorophenyl)-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

316.97925 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.98653 166.5
[M+Na]+ 339.96847 177.1
[M-H]- 315.97197 170.4
[M+NH4]+ 335.01307 180.1
[M+K]+ 355.94241 170.7
[M+H-H2O]+ 299.97651 160.4
[M+HCOO]- 361.97745 173.6
[M+CH3COO]- 375.99310 177.5
[M+Na-2H]- 337.95392 166.6
[M]+ 316.97870 171.2
[M]- 316.97980 171.2
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.