CID 6481936

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

Structural Information

Molecular Formula
C18H16N4O2S2
SMILES
C1=CC=C(C=C1)OCC(=O)NC2=NN=C(S2)SCC#CCN3C=CC=C3
InChI
InChI=1S/C18H16N4O2S2/c23-16(14-24-15-8-2-1-3-9-15)19-17-20-21-18(26-17)25-13-7-6-12-22-10-4-5-11-22/h1-5,8-11H,12-14H2,(H,19,20,23)
InChIKey
ZYYSOCUXSVIFFA-UHFFFAOYSA-N
Compound name
2-phenoxy-N-[5-(4-pyrrol-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

384.07147 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.07875 193.9
[M+Na]+ 407.06069 205.1
[M-H]- 383.06419 197.8
[M+NH4]+ 402.10529 204.2
[M+K]+ 423.03463 198.0
[M+H-H2O]+ 367.06873 178.9
[M+HCOO]- 429.06967 202.5
[M+CH3COO]- 443.08532 201.6
[M+Na-2H]- 405.04614 190.6
[M]+ 384.07092 193.7
[M]- 384.07202 193.8
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.