CID 1588980

477332-73-3

Structural Information

Molecular Formula
C18H16N4O2S3
SMILES
C1=CC=C(C=C1)CSC2=NN=C(S2)SCC(=O)NC3=CC=C(C=C3)C(=O)N
InChI
InChI=1S/C18H16N4O2S3/c19-16(24)13-6-8-14(9-7-13)20-15(23)11-26-18-22-21-17(27-18)25-10-12-4-2-1-3-5-12/h1-9H,10-11H2,(H2,19,24)(H,20,23)
InChIKey
KORJMZLOTUTQFO-UHFFFAOYSA-N
Compound name
4-[[2-[(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]amino]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

416.04355 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 417.05083 183.3
[M+Na]+ 439.03277 193.0
[M+NH4]+ 434.07737 190.0
[M+K]+ 455.00671 183.7
[M-H]- 415.03627 188.3
[M+Na-2H]- 437.01822 190.4
[M]+ 416.04300 187.2
[M]- 416.04410 187.2
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.