CID 24836322

88797-53-9

Structural Information

Molecular Formula
C24H18N4O2S2
SMILES
C1=CC=C(C=C1)NC(=S)SCC2=NC3=CC=CC=C3N2CN4C(=O)C5=CC=CC=C5C4=O
InChI
InChI=1S/C24H18N4O2S2/c29-22-17-10-4-5-11-18(17)23(30)28(22)15-27-20-13-7-6-12-19(20)26-21(27)14-32-24(31)25-16-8-2-1-3-9-16/h1-13H,14-15H2,(H,25,31)
InChIKey
NGYOYTNPDVQGFX-UHFFFAOYSA-N
Compound name
[1-[(1,3-dioxoisoindol-2-yl)methyl]benzimidazol-2-yl]methyl N-phenylcarbamodithioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

458.08713 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 459.09441 206.9
[M+Na]+ 481.07635 218.2
[M-H]- 457.07985 215.8
[M+NH4]+ 476.12095 218.3
[M+K]+ 497.05029 209.7
[M+H-H2O]+ 441.08439 199.9
[M+HCOO]- 503.08533 218.1
[M+CH3COO]- 517.10098 216.1
[M+Na-2H]- 479.06180 205.7
[M]+ 458.08658 213.2
[M]- 458.08768 213.2
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.