CID 501955

Chembl149950

Structural Information

Molecular Formula
C18H12N2O3S
SMILES
C1=CC=C2C(=C1)C=C(S2)CN3C4=C(C=C(C=C4)C(=O)N)C(=O)C3=O
InChI
InChI=1S/C18H12N2O3S/c19-17(22)11-5-6-14-13(8-11)16(21)18(23)20(14)9-12-7-10-3-1-2-4-15(10)24-12/h1-8H,9H2,(H2,19,22)
InChIKey
VDNGDPGHZKPFHH-UHFFFAOYSA-N
Compound name
1-(1-benzothiophen-2-ylmethyl)-2,3-dioxoindole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

336.05685 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.06413 177.0
[M+Na]+ 359.04607 188.6
[M-H]- 335.04957 185.7
[M+NH4]+ 354.09067 195.6
[M+K]+ 375.02001 182.9
[M+H-H2O]+ 319.05411 171.3
[M+HCOO]- 381.05505 195.6
[M+CH3COO]- 395.07070 189.5
[M+Na-2H]- 357.03152 176.6
[M]+ 336.05630 182.2
[M]- 336.05740 182.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.