CID 2883209

N-(3-methylphenyl)-2-[(3-{[2-oxo-2-(3-toluidino)ethyl]sulfanyl}-1,2,4-thiadiazol-5-yl)sulfanyl]acetamide

Structural Information

Molecular Formula
C20H20N4O2S3
SMILES
CC1=CC(=CC=C1)NC(=O)CSC2=NSC(=N2)SCC(=O)NC3=CC=CC(=C3)C
InChI
InChI=1S/C20H20N4O2S3/c1-13-5-3-7-15(9-13)21-17(25)11-27-19-23-20(29-24-19)28-12-18(26)22-16-8-4-6-14(2)10-16/h3-10H,11-12H2,1-2H3,(H,21,25)(H,22,26)
InChIKey
IPTOQFNKYVTZOB-UHFFFAOYSA-N
Compound name
2-[[5-[2-(3-methylanilino)-2-oxoethyl]sulfanyl-1,2,4-thiadiazol-3-yl]sulfanyl]-N-(3-methylphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

444.07483 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 445.08211 193.1
[M+Na]+ 467.06405 203.0
[M+NH4]+ 462.10865 199.6
[M+K]+ 483.03799 193.1
[M-H]- 443.06755 198.2
[M+Na-2H]- 465.04950 199.8
[M]+ 444.07428 197.1
[M]- 444.07538 197.1
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.