CID 1608113

618880-46-9

Structural Information

Molecular Formula
C24H23N3OS3
SMILES
CC1=CC(=C(C(=C1)C)NC(=O)CSC2=NN=C(S2)SCC3=CC=CC4=CC=CC=C43)C
InChI
InChI=1S/C24H23N3OS3/c1-15-11-16(2)22(17(3)12-15)25-21(28)14-30-24-27-26-23(31-24)29-13-19-9-6-8-18-7-4-5-10-20(18)19/h4-12H,13-14H2,1-3H3,(H,25,28)
InChIKey
OPTTXQQXBARYND-UHFFFAOYSA-N
Compound name
2-[[5-(naphthalen-1-ylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2,4,6-trimethylphenyl)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 200.3
[M+Na]+ 488.08952 215.1
[M+NH4]+ 483.13412 208.9
[M+K]+ 504.06346 202.2
[M-H]- 464.09302 207.5
[M+Na-2H]- 486.07497 208.7
[M]+ 465.09975 206.1
[M]- 465.10085 206.1
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.