CID 515970

Chembl146403

Structural Information

Molecular Formula

C₁₆H₁₂N₂O₄

SMILES

C1=CC(=CC(=C1)O)CN2C3=C(C=C(C=C3)C(=O)N)C(=O)C2=O

InChI

InChI=1S/C16H12N2O4/c17-15(21)10-4-5-13-12(7-10)14(20)16(22)18(13)8-9-2-1-3-11(19)6-9/h1-7,19H,8H2,(H2,17,21)

InChIKey

JIIFSHVXGCRNJC-UHFFFAOYSA-N

Compound name

1-[(3-hydroxyphenyl)methyl]-2,3-dioxoindole-5-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 296.0797 Da
Monoisotopic Mass: 0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	297.086976	165.1
[M+Na]+	319.068918	174.3
[M-H]-	295.072424	170.7
[M+NH4]+	314.113523	180.7
[M+K]+	335.042858	169.6
[M+H-H2O]+	279.076960	157.8
[M+HCOO]-	341.077901	185.8
[M+CH3COO]-	355.093551	203.6
[M+Na-2H]-	317.054366	166.2
[M]+	296.07915142	165.0
[M]-	296.08024858	165.0

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.