CID 4036900

2-{[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}-n-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide

Structural Information

Molecular Formula
C16H17N5O3S2
SMILES
CCC1=NN=C(S1)NC(=O)CSC2=NN=C(O2)C3=CC=C(C=C3)OCC
InChI
InChI=1S/C16H17N5O3S2/c1-3-13-18-20-15(26-13)17-12(22)9-25-16-21-19-14(24-16)10-5-7-11(8-6-10)23-4-2/h5-8H,3-4,9H2,1-2H3,(H,17,20,22)
InChIKey
VEKIRRYKWNIKIC-UHFFFAOYSA-N
Compound name
2-[[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

391.07727 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 392.08455 185.7
[M+Na]+ 414.06649 196.8
[M-H]- 390.06999 193.0
[M+NH4]+ 409.11109 195.4
[M+K]+ 430.04043 192.1
[M+H-H2O]+ 374.07453 178.0
[M+HCOO]- 436.07547 199.1
[M+CH3COO]- 450.09112 196.3
[M+Na-2H]- 412.05194 184.0
[M]+ 391.07672 195.0
[M]- 391.07782 195.0
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.