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 203.9
[M+Na]+ 475.08692 214.2
[M-H]- 451.09042 211.3
[M+NH4]+ 470.13152 213.1
[M+K]+ 491.06086 208.2
[M+H-H2O]+ 435.09496 197.4
[M+HCOO]- 497.09590 209.1
[M+CH3COO]- 511.11155 212.2
[M+Na-2H]- 473.07237 199.7
[M]+ 452.09715 208.3
[M]- 452.09825 208.3
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.