CID 5157460

618880-45-8

Structural Information

Molecular Formula
C24H23N3OS3
SMILES
CC(C)C1=CC=CC=C1NC(=O)CSC2=NN=C(S2)SCC3=CC=CC4=CC=CC=C43
InChI
InChI=1S/C24H23N3OS3/c1-16(2)19-11-5-6-13-21(19)25-22(28)15-30-24-27-26-23(31-24)29-14-18-10-7-9-17-8-3-4-12-20(17)18/h3-13,16H,14-15H2,1-2H3,(H,25,28)
InChIKey
WNVRTLFKKMEXPL-UHFFFAOYSA-N
Compound name
2-[[5-(naphthalen-1-ylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2-propan-2-ylphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

465.1003 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 466.10758 202.8
[M+Na]+ 488.08952 211.5
[M-H]- 464.09302 209.6
[M+NH4]+ 483.13412 212.1
[M+K]+ 504.06346 201.6
[M+H-H2O]+ 448.09756 195.3
[M+HCOO]- 510.09850 208.6
[M+CH3COO]- 524.11415 210.5
[M+Na-2H]- 486.07497 203.0
[M]+ 465.09975 207.7
[M]- 465.10085 207.7
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.