CID 6481942

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

Structural Information

Molecular Formula
C18H19ClN4O3S2
SMILES
C1COCCN1CC#CCSC2=NN=C(S2)NC(=O)COC3=CC=C(C=C3)Cl
InChI
InChI=1S/C18H19ClN4O3S2/c19-14-3-5-15(6-4-14)26-13-16(24)20-17-21-22-18(28-17)27-12-2-1-7-23-8-10-25-11-9-23/h3-6H,7-13H2,(H,20,21,24)
InChIKey
UIYUTKXBMILGJE-UHFFFAOYSA-N
Compound name
2-(4-chlorophenoxy)-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

438.05872 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 439.06600 196.0
[M+Na]+ 461.04794 204.4
[M-H]- 437.05144 199.0
[M+NH4]+ 456.09254 202.1
[M+K]+ 477.02188 197.9
[M+H-H2O]+ 421.05598 181.5
[M+HCOO]- 483.05692 194.5
[M+CH3COO]- 497.07257 201.7
[M+Na-2H]- 459.03339 192.7
[M]+ 438.05817 193.7
[M]- 438.05927 193.7
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.