CID 6481944

2-(2,4-dichlorophenoxy)-n-[5-(4-morpholinobut-2-ynylsulfanyl)-1,3,4-thiadiazol-2-yl]acetamide

Structural Information

Molecular Formula
C18H18Cl2N4O3S2
SMILES
C1COCCN1CC#CCSC2=NN=C(S2)NC(=O)COC3=C(C=C(C=C3)Cl)Cl
InChI
InChI=1S/C18H18Cl2N4O3S2/c19-13-3-4-15(14(20)11-13)27-12-16(25)21-17-22-23-18(29-17)28-10-2-1-5-24-6-8-26-9-7-24/h3-4,11H,5-10,12H2,(H,21,22,25)
InChIKey
FORYAYJYUUPTRW-UHFFFAOYSA-N
Compound name
2-(2,4-dichlorophenoxy)-N-[5-(4-morpholin-4-ylbut-2-ynylsulfanyl)-1,3,4-thiadiazol-2-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

472.01974 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 473.02702 200.7
[M+Na]+ 495.00896 209.8
[M-H]- 471.01246 203.7
[M+NH4]+ 490.05356 206.3
[M+K]+ 510.98290 202.9
[M+H-H2O]+ 455.01700 187.0
[M+HCOO]- 517.01794 194.8
[M+CH3COO]- 531.03359 206.0
[M+Na-2H]- 492.99441 196.4
[M]+ 472.01919 199.6
[M]- 472.02029 199.6
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.