CID 515971

Chembl145833

Structural Information

Molecular Formula
C16H12N2O5
SMILES
C1=CC2=C(C=C1C(=O)N)C(=O)C(=O)N2CC3=CC(=CC(=C3)O)O
InChI
InChI=1S/C16H12N2O5/c17-15(22)9-1-2-13-12(5-9)14(21)16(23)18(13)7-8-3-10(19)6-11(20)4-8/h1-6,19-20H,7H2,(H2,17,22)
InChIKey
YRUPFXOYFDKGAN-UHFFFAOYSA-N
Compound name
1-[(3,5-dihydroxyphenyl)methyl]-2,3-dioxoindole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

312.07462 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.08190 168.1
[M+Na]+ 335.06384 177.4
[M-H]- 311.06734 172.7
[M+NH4]+ 330.10844 182.5
[M+K]+ 351.03778 172.8
[M+H-H2O]+ 295.07188 161.1
[M+HCOO]- 357.07282 187.3
[M+CH3COO]- 371.08847 205.2
[M+Na-2H]- 333.04929 168.3
[M]+ 312.07407 168.1
[M]- 312.07517 168.1
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.