CID 16072594

1h-indole-2-carboxamide, 5,6-dihydroxy-n-[(3,4-dihydroxy)phenylmethyl]-

Structural Information

Molecular Formula
C16H14N2O5
SMILES
C1=CC(=C(C=C1CNC(=O)C2=CC3=CC(=C(C=C3N2)O)O)O)O
InChI
InChI=1S/C16H14N2O5/c19-12-2-1-8(3-13(12)20)7-17-16(23)11-4-9-5-14(21)15(22)6-10(9)18-11/h1-6,18-22H,7H2,(H,17,23)
InChIKey
AVIJATXXQQHGMK-UHFFFAOYSA-N
Compound name
N-[(3,4-dihydroxyphenyl)methyl]-5,6-dihydroxy-1H-indole-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

314.09027 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.09755 168.1
[M+Na]+ 337.07949 176.7
[M-H]- 313.08299 169.6
[M+NH4]+ 332.12409 180.8
[M+K]+ 353.05343 171.0
[M+H-H2O]+ 297.08753 161.5
[M+HCOO]- 359.08847 186.0
[M+CH3COO]- 373.10412 198.2
[M+Na-2H]- 335.06494 170.6
[M]+ 314.08972 167.5
[M]- 314.09082 167.5
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.