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 204.0
[M+Na]+ 488.08952 214.5
[M-H]- 464.09302 211.4
[M+NH4]+ 483.13412 213.9
[M+K]+ 504.06346 204.0
[M+H-H2O]+ 448.09756 196.6
[M+HCOO]- 510.09850 210.7
[M+CH3COO]- 524.11415 212.3
[M+Na-2H]- 486.07497 203.5
[M]+ 465.09975 210.1
[M]- 465.10085 210.1
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.