CID 6481932

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

Structural Information

Molecular Formula
C19H22N4O2S2
SMILES
C1CCN(CC1)CC#CCSC2=NN=C(S2)NC(=O)COC3=CC=CC=C3
InChI
InChI=1S/C19H22N4O2S2/c24-17(15-25-16-9-3-1-4-10-16)20-18-21-22-19(27-18)26-14-8-7-13-23-11-5-2-6-12-23/h1,3-4,9-10H,2,5-6,11-15H2,(H,20,21,24)
InChIKey
KOICNEPMZMRNGX-UHFFFAOYSA-N
Compound name
2-phenoxy-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

402.1184 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 403.12568 193.0
[M+Na]+ 425.10762 200.0
[M-H]- 401.11112 194.9
[M+NH4]+ 420.15222 200.5
[M+K]+ 441.08156 192.6
[M+H-H2O]+ 385.11566 177.6
[M+HCOO]- 447.11660 195.7
[M+CH3COO]- 461.13225 198.4
[M+Na-2H]- 423.09307 189.6
[M]+ 402.11785 187.5
[M]- 402.11895 187.5
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.