CID 71414023

860777-98-6

Structural Information

Molecular Formula
C33H56N2O2
SMILES
CCCCCCCCCCCCCCCCCCCCCCC(=O)NCCC1=CNC2=C1C=C(C=C2)O
InChI
InChI=1S/C33H56N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-33(37)34-26-25-29-28-35-32-24-23-30(36)27-31(29)32/h23-24,27-28,35-36H,2-22,25-26H2,1H3,(H,34,37)
InChIKey
JOPFNTIKIIPNJS-UHFFFAOYSA-N
Compound name
N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]tricosanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

512.4342 Da
Monoisotopic Mass

11.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 513.44148 240.0
[M+Na]+ 535.42342 238.8
[M-H]- 511.42692 236.9
[M+NH4]+ 530.46802 246.2
[M+K]+ 551.39736 229.8
[M+H-H2O]+ 495.43146 229.5
[M+HCOO]- 557.43240 254.5
[M+CH3COO]- 571.44805 247.6
[M+Na-2H]- 533.40887 234.2
[M]+ 512.43365 247.3
[M]- 512.43475 247.3
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