CID 1886372

476484-09-0

Structural Information

Molecular Formula
C23H21N3OS3
SMILES
CC1=CC(=CC(=C1)NC(=O)CSC2=NN=C(S2)SCC3=CC=CC4=CC=CC=C43)C
InChI
InChI=1S/C23H21N3OS3/c1-15-10-16(2)12-19(11-15)24-21(27)14-29-23-26-25-22(30-23)28-13-18-8-5-7-17-6-3-4-9-20(17)18/h3-12H,13-14H2,1-2H3,(H,24,27)
InChIKey
ZLJVKUUCQDDJKR-UHFFFAOYSA-N
Compound name
N-(3,5-dimethylphenyl)-2-[[5-(naphthalen-1-ylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

451.0847 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 452.09198 199.6
[M+Na]+ 474.07392 210.0
[M-H]- 450.07742 206.9
[M+NH4]+ 469.11852 209.9
[M+K]+ 490.04786 199.7
[M+H-H2O]+ 434.08196 192.3
[M+HCOO]- 496.08290 206.8
[M+CH3COO]- 510.09855 208.1
[M+Na-2H]- 472.05937 200.2
[M]+ 451.08415 205.1
[M]- 451.08525 205.1
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.