CID 3821956

476486-07-4

Structural Information

Molecular Formula
C24H21N3O2S3
SMILES
C1=CC=C(C=C1)COC2=CC=C(C=C2)NC(=O)CSC3=NN=C(S3)SCC4=CC=CC=C4
InChI
InChI=1S/C24H21N3O2S3/c28-22(17-31-24-27-26-23(32-24)30-16-19-9-5-2-6-10-19)25-20-11-13-21(14-12-20)29-15-18-7-3-1-4-8-18/h1-14H,15-17H2,(H,25,28)
InChIKey
XESGZLQPYCRRGR-UHFFFAOYSA-N
Compound name
2-[(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(4-phenylmethoxyphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

479.0796 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 480.08688 197.3
[M+Na]+ 502.06882 210.8
[M+NH4]+ 497.11342 205.3
[M+K]+ 518.04276 198.5
[M-H]- 478.07232 205.2
[M+Na-2H]- 500.05427 208.0
[M]+ 479.07905 203.0
[M]- 479.08015 203.0
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.