CID 24840213

88797-55-1

Structural Information

Molecular Formula
C22H20N4O3S2
SMILES
C1COCCN1C(=S)SCC2=NC3=CC=CC=C3N2CN4C(=O)C5=CC=CC=C5C4=O
InChI
InChI=1S/C22H20N4O3S2/c27-20-15-5-1-2-6-16(15)21(28)26(20)14-25-18-8-4-3-7-17(18)23-19(25)13-31-22(30)24-9-11-29-12-10-24/h1-8H,9-14H2
InChIKey
PEOUBUKLKFSKMQ-UHFFFAOYSA-N
Compound name
[1-[(1,3-dioxoisoindol-2-yl)methyl]benzimidazol-2-yl]methyl morpholine-4-carbodithioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

452.0977 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 453.10498 201.1
[M+Na]+ 475.08692 214.2
[M+NH4]+ 470.13152 207.9
[M+K]+ 491.06086 207.1
[M-H]- 451.09042 206.0
[M+Na-2H]- 473.07237 204.9
[M]+ 452.09715 205.2
[M]- 452.09825 205.2
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.