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]+ 297.123376 166.3
[M+Na]+ 319.105318 174.1
[M-H]- 295.108824 169.6
[M+NH4]+ 314.149923 180.8
[M+K]+ 335.079258 168.0
[M+H-H2O]+ 279.113360 158.9
[M+HCOO]- 341.114301 186.7
[M+CH3COO]- 355.129951 198.0
[M+Na-2H]- 317.090766 170.3
[M]+ 296.11555142 165.9
[M]- 296.11664858 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.