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 205.2
[M+Na]+ 502.06882 212.6
[M-H]- 478.07232 213.7
[M+NH4]+ 497.11342 212.4
[M+K]+ 518.04276 202.6
[M+H-H2O]+ 462.07686 196.6
[M+HCOO]- 524.07780 212.8
[M+CH3COO]- 538.09345 212.4
[M+Na-2H]- 500.05427 205.3
[M]+ 479.07905 208.4
[M]- 479.08015 208.4
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.