CID 73438566

Ms-1020

Structural Information

Molecular Formula
C21H18N2O3
SMILES
C1=CC=C2C(=C1)C=CC(=C2O)C(=O)NCCC3=CNC4=C3C=C(C=C4)O
InChI
InChI=1S/C21H18N2O3/c24-15-6-8-19-18(11-15)14(12-23-19)9-10-22-21(26)17-7-5-13-3-1-2-4-16(13)20(17)25/h1-8,11-12,23-25H,9-10H2,(H,22,26)
InChIKey
KHJNISGKGIHTMY-UHFFFAOYSA-N
Compound name
1-hydroxy-N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]naphthalene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

12
Patents

346.13174 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.13902 179.3
[M+Na]+ 369.12096 187.4
[M-H]- 345.12446 183.5
[M+NH4]+ 364.16556 192.7
[M+K]+ 385.09490 180.1
[M+H-H2O]+ 329.12900 171.4
[M+HCOO]- 391.12994 197.8
[M+CH3COO]- 405.14559 189.0
[M+Na-2H]- 367.10641 183.6
[M]+ 346.13119 179.5
[M]- 346.13229 179.5
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

patents stripe