CID 57920672

Schembl3806509

Structural Information

Molecular Formula
C30H50N2O3
SMILES
C1=CC2=C(C=C1O)C(=CN2)CCNC(=O)CCCCCCCCCCCCCCCCCCCO
InChI
InChI=1S/C30H50N2O3/c33-23-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-30(35)31-22-21-26-25-32-29-20-19-27(34)24-28(26)29/h19-20,24-25,32-34H,1-18,21-23H2,(H,31,35)
InChIKey
DFWMLDNCACBOKO-UHFFFAOYSA-N
Compound name
20-hydroxy-N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]icosanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

486.38214 Da
Monoisotopic Mass

8.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 487.38942 228.9
[M+Na]+ 509.37136 228.4
[M-H]- 485.37486 225.1
[M+NH4]+ 504.41596 235.5
[M+K]+ 525.34530 220.1
[M+H-H2O]+ 469.37940 219.1
[M+HCOO]- 531.38034 243.2
[M+CH3COO]- 545.39599 238.7
[M+Na-2H]- 507.35681 224.5
[M]+ 486.38159 234.8
[M]- 486.38269 234.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe