CID 16072592

Chembl2070202

Structural Information

Molecular Formula
C16H14N2O3
SMILES
C1=CC=C(C=C1)CNC(=O)C2=CC3=CC(=C(C=C3N2)O)O
InChI
InChI=1S/C16H14N2O3/c19-14-7-11-6-13(18-12(11)8-15(14)20)16(21)17-9-10-4-2-1-3-5-10/h1-8,18-20H,9H2,(H,17,21)
InChIKey
TWYGWSBDUAYKOF-UHFFFAOYSA-N
Compound name
N-benzyl-5,6-dihydroxy-1H-indole-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

282.10043 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.10771 161.8
[M+Na]+ 305.08965 170.1
[M-H]- 281.09315 165.2
[M+NH4]+ 300.13425 176.9
[M+K]+ 321.06359 164.2
[M+H-H2O]+ 265.09769 154.6
[M+HCOO]- 327.09863 182.5
[M+CH3COO]- 341.11428 172.9
[M+Na-2H]- 303.07510 166.4
[M]+ 282.09988 161.1
[M]- 282.10098 161.1
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.