CID 45175

Usaf cy-8

Structural Information

Molecular Formula
C20H16N2O2S2
SMILES
C1=CC=C(C=C1)C(=O)NSC2=CC=CC=C2SNC(=O)C3=CC=CC=C3
InChI
InChI=1S/C20H16N2O2S2/c23-19(15-9-3-1-4-10-15)21-25-17-13-7-8-14-18(17)26-22-20(24)16-11-5-2-6-12-16/h1-14H,(H,21,23)(H,22,24)
InChIKey
LFVGDGCHHCFEJP-UHFFFAOYSA-N
Compound name
N-(2-benzamidosulfanylphenyl)sulfanylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

380.0653 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.07258 184.9
[M+Na]+ 403.05452 189.7
[M-H]- 379.05802 193.2
[M+NH4]+ 398.09912 195.8
[M+K]+ 419.02846 182.2
[M+H-H2O]+ 363.06256 175.8
[M+HCOO]- 425.06350 198.7
[M+CH3COO]- 439.07915 193.6
[M+Na-2H]- 401.03997 187.3
[M]+ 380.06475 185.4
[M]- 380.06585 185.4
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.