CID 16072593

5,6-dihydroxy-n-phenethyl-1h-indole-2-carboxamide

Structural Information

Molecular Formula
C17H16N2O3
SMILES
C1=CC=C(C=C1)CCNC(=O)C2=CC3=CC(=C(C=C3N2)O)O
InChI
InChI=1S/C17H16N2O3/c20-15-9-12-8-14(19-13(12)10-16(15)21)17(22)18-7-6-11-4-2-1-3-5-11/h1-5,8-10,19-21H,6-7H2,(H,18,22)
InChIKey
XXPYWTAKJQOFDA-UHFFFAOYSA-N
Compound name
5,6-dihydroxy-N-(2-phenylethyl)-1H-indole-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

296.1161 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.12338 166.3
[M+Na]+ 319.10532 174.1
[M-H]- 295.10882 169.6
[M+NH4]+ 314.14992 180.8
[M+K]+ 335.07926 168.0
[M+H-H2O]+ 279.11336 158.9
[M+HCOO]- 341.11430 186.7
[M+CH3COO]- 355.12995 198.0
[M+Na-2H]- 317.09077 170.3
[M]+ 296.11555 165.9
[M]- 296.11665 165.9
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.