CID 6481938

2-(4-chlorophenoxy)-n-[5-[4-(2,6-dimethyl-1-piperidyl)but-2-ynylsulfanyl]-1,3,4-thiadiazol-2-yl]acetamide

Structural Information

Molecular Formula
C21H25ClN4O2S2
SMILES
CC1CCCC(N1CC#CCSC2=NN=C(S2)NC(=O)COC3=CC=C(C=C3)Cl)C
InChI
InChI=1S/C21H25ClN4O2S2/c1-15-6-5-7-16(2)26(15)12-3-4-13-29-21-25-24-20(30-21)23-19(27)14-28-18-10-8-17(22)9-11-18/h8-11,15-16H,5-7,12-14H2,1-2H3,(H,23,24,27)
InChIKey
ZLKIOQKUUILOLW-UHFFFAOYSA-N
Compound name
2-(4-chlorophenoxy)-N-[5-[4-(2,6-dimethylpiperidin-1-yl)but-2-ynylsulfanyl]-1,3,4-thiadiazol-2-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

464.11075 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 465.11803 206.7
[M+Na]+ 487.09997 215.2
[M-H]- 463.10347 209.4
[M+NH4]+ 482.14457 213.5
[M+K]+ 503.07391 206.7
[M+H-H2O]+ 447.10801 192.2
[M+HCOO]- 509.10895 204.6
[M+CH3COO]- 523.12460 211.7
[M+Na-2H]- 485.08542 200.4
[M]+ 464.11020 204.5
[M]- 464.11130 204.5
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.