CID 375279

Nsc654796

Structural Information

Molecular Formula
C18H15ClN4O3S
SMILES
CC(=O)NC1=CC=C(C=C1)C2=NN=C(O2)SCC(=O)NC3=CC=C(C=C3)Cl
InChI
InChI=1S/C18H15ClN4O3S/c1-11(24)20-14-6-2-12(3-7-14)17-22-23-18(26-17)27-10-16(25)21-15-8-4-13(19)5-9-15/h2-9H,10H2,1H3,(H,20,24)(H,21,25)
InChIKey
UWKWKKDQMMTBNU-UHFFFAOYSA-N
Compound name
2-[[5-(4-acetamidophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-chlorophenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

402.05533 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 403.06261 192.6
[M+Na]+ 425.04455 200.5
[M-H]- 401.04805 201.3
[M+NH4]+ 420.08915 202.0
[M+K]+ 441.01849 195.3
[M+H-H2O]+ 385.05259 183.7
[M+HCOO]- 447.05353 205.8
[M+CH3COO]- 461.06918 220.9
[M+Na-2H]- 423.03000 193.0
[M]+ 402.05478 198.6
[M]- 402.05588 198.6
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.