CID 1386415

499103-87-6

Structural Information

Molecular Formula
C20H21N3O2S3
SMILES
CCC1=CC=C(C=C1)NC(=O)CSC2=NN=C(S2)SCC3=CC=C(C=C3)OC
InChI
InChI=1S/C20H21N3O2S3/c1-3-14-4-8-16(9-5-14)21-18(24)13-27-20-23-22-19(28-20)26-12-15-6-10-17(25-2)11-7-15/h4-11H,3,12-13H2,1-2H3,(H,21,24)
InChIKey
ZLTVBJDHOQKPCA-UHFFFAOYSA-N
Compound name
N-(4-ethylphenyl)-2-[[5-[(4-methoxyphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

431.0796 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 432.08688 191.2
[M+Na]+ 454.06882 202.8
[M+NH4]+ 449.11342 198.6
[M+K]+ 470.04276 191.7
[M-H]- 430.07232 196.6
[M+Na-2H]- 452.05427 198.2
[M]+ 431.07905 195.7
[M]- 431.08015 195.7
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.