CID 1389202

2-({5-[(4-methoxybenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}sulfanyl)-n-(3-methylphenyl)acetamide

Structural Information

Molecular Formula
C19H19N3O2S3
SMILES
CC1=CC(=CC=C1)NC(=O)CSC2=NN=C(S2)SCC3=CC=C(C=C3)OC
InChI
InChI=1S/C19H19N3O2S3/c1-13-4-3-5-15(10-13)20-17(23)12-26-19-22-21-18(27-19)25-11-14-6-8-16(24-2)9-7-14/h3-10H,11-12H2,1-2H3,(H,20,23)
InChIKey
ALVCIJYLLOCKAN-UHFFFAOYSA-N
Compound name
2-[[5-[(4-methoxyphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(3-methylphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

417.06393 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 418.07121 187.4
[M+Na]+ 440.05315 199.2
[M+NH4]+ 435.09775 195.0
[M+K]+ 456.02709 188.3
[M-H]- 416.05665 192.8
[M+Na-2H]- 438.03860 194.5
[M]+ 417.06338 192.0
[M]- 417.06448 192.0
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.