CID 503668

Chembl166332

Structural Information

Molecular Formula
C24H18N2O4S
SMILES
C1=CC=C(C=C1)C(=O)N(C2=CC=CC=C2)C(=S)OCCN3C(=O)C4=CC=CC=C4C3=O
InChI
InChI=1S/C24H18N2O4S/c27-21(17-9-3-1-4-10-17)26(18-11-5-2-6-12-18)24(31)30-16-15-25-22(28)19-13-7-8-14-20(19)23(25)29/h1-14H,15-16H2
InChIKey
AXCXEQLXDMDDKH-UHFFFAOYSA-N
Compound name
O-[2-(1,3-dioxoisoindol-2-yl)ethyl] N-benzoyl-N-phenylcarbamothioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

430.09872 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 431.10600 203.1
[M+Na]+ 453.08794 209.0
[M-H]- 429.09144 213.6
[M+NH4]+ 448.13254 214.2
[M+K]+ 469.06188 204.2
[M+H-H2O]+ 413.09598 193.7
[M+HCOO]- 475.09692 219.3
[M+CH3COO]- 489.11257 228.5
[M+Na-2H]- 451.07339 201.7
[M]+ 430.09817 207.2
[M]- 430.09927 207.2
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.