CID 10530465

N-[2-(1h-indol-3-yl)ethyl]hexacosanamide

Structural Information

Molecular Formula
C36H62N2O
SMILES
CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)NCCC1=CNC2=CC=CC=C21
InChI
InChI=1S/C36H62N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-29-36(39)37-31-30-33-32-38-35-28-26-25-27-34(33)35/h25-28,32,38H,2-24,29-31H2,1H3,(H,37,39)
InChIKey
RBGZJJPNEDSXQH-UHFFFAOYSA-N
Compound name
N-[2-(1H-indol-3-yl)ethyl]hexacosanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

5
Patents

538.4862 Da
Monoisotopic Mass

14.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 539.49348 250.1
[M+Na]+ 561.47542 247.3
[M-H]- 537.47892 247.3
[M+NH4]+ 556.52002 255.7
[M+K]+ 577.44936 237.6
[M+H-H2O]+ 521.48346 238.6
[M+HCOO]- 583.48440 264.9
[M+CH3COO]- 597.50005 255.4
[M+Na-2H]- 559.46087 243.7
[M]+ 538.48565 258.5
[M]- 538.48675 258.5
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