CID 6481937

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

Structural Information

Molecular Formula
C19H21ClN4O2S2
SMILES
C1CCN(CC1)CC#CCSC2=NN=C(S2)NC(=O)COC3=CC=C(C=C3)Cl
InChI
InChI=1S/C19H21ClN4O2S2/c20-15-6-8-16(9-7-15)26-14-17(25)21-18-22-23-19(28-18)27-13-5-4-12-24-10-2-1-3-11-24/h6-9H,1-3,10-14H2,(H,21,22,25)
InChIKey
IBQINNGXFMHFGO-UHFFFAOYSA-N
Compound name
2-(4-chlorophenoxy)-N-[5-(4-piperidin-1-ylbut-2-ynylsulfanyl)-1,3,4-thiadiazol-2-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

436.07944 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 437.08672 198.6
[M+Na]+ 459.06866 206.7
[M-H]- 435.07216 201.0
[M+NH4]+ 454.11326 206.0
[M+K]+ 475.04260 198.4
[M+H-H2O]+ 419.07670 184.0
[M+HCOO]- 481.07764 197.2
[M+CH3COO]- 495.09329 203.9
[M+Na-2H]- 457.05411 194.3
[M]+ 436.07889 195.1
[M]- 436.07999 195.1
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.