CID 375288

Nsc654805

Structural Information

Molecular Formula
C17H13Cl2N3O2S
SMILES
C1=CC=C(C=C1)CC2=NN=C(O2)SCC(=O)NC3=C(C=C(C=C3)Cl)Cl
InChI
InChI=1S/C17H13Cl2N3O2S/c18-12-6-7-14(13(19)9-12)20-15(23)10-25-17-22-21-16(24-17)8-11-4-2-1-3-5-11/h1-7,9H,8,10H2,(H,20,23)
InChIKey
JKOLYFQYUYNLGQ-UHFFFAOYSA-N
Compound name
2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(2,4-dichlorophenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

393.01056 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 394.01784 187.4
[M+Na]+ 415.99978 197.2
[M-H]- 392.00328 195.3
[M+NH4]+ 411.04438 198.2
[M+K]+ 431.97372 190.8
[M+H-H2O]+ 376.00782 179.2
[M+HCOO]- 438.00876 195.4
[M+CH3COO]- 452.02441 197.5
[M+Na-2H]- 413.98523 187.4
[M]+ 393.01001 194.7
[M]- 393.01111 194.7
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.