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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.08698 165.1
[M+Na]+ 319.06892 174.3
[M-H]- 295.07242 170.7
[M+NH4]+ 314.11352 180.7
[M+K]+ 335.04286 169.6
[M+H-H2O]+ 279.07696 157.8
[M+HCOO]- 341.07790 185.8
[M+CH3COO]- 355.09355 203.6
[M+Na-2H]- 317.05437 166.2
[M]+ 296.07915 165.0
[M]- 296.08025 165.0
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.