CID 6481935

Acetamide, n-[5-[[4-(4-morpholinyl)-2-butynyl]thio]-1,3,4-thiadiazol-2-yl]-2-phenoxy-

Structural Information

Molecular Formula
C18H20N4O3S2
SMILES
C1COCCN1CC#CCSC2=NN=C(S2)NC(=O)COC3=CC=CC=C3
InChI
InChI=1S/C18H20N4O3S2/c23-16(14-25-15-6-2-1-3-7-15)19-17-20-21-18(27-17)26-13-5-4-8-22-9-11-24-12-10-22/h1-3,6-7H,8-14H2,(H,19,20,23)
InChIKey
LUYDLJGMBVFXRG-UHFFFAOYSA-N
Compound name
N-[5-(4-morpholin-4-ylbut-2-ynylsulfanyl)-1,3,4-thiadiazol-2-yl]-2-phenoxyacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

404.0977 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 405.10498 190.2
[M+Na]+ 427.08692 197.5
[M-H]- 403.09042 192.7
[M+NH4]+ 422.13152 196.5
[M+K]+ 443.06086 191.9
[M+H-H2O]+ 387.09496 174.9
[M+HCOO]- 449.09590 192.9
[M+CH3COO]- 463.11155 196.0
[M+Na-2H]- 425.07237 187.8
[M]+ 404.09715 185.9
[M]- 404.09825 185.9
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.