CID 10174581

N-lignoceroyltryptamine

Structural Information

Molecular Formula
C34H58N2O
SMILES
CCCCCCCCCCCCCCCCCCCCCCCC(=O)NCCC1=CNC2=CC=CC=C21
InChI
InChI=1S/C34H58N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-27-34(37)35-29-28-31-30-36-33-26-24-23-25-32(31)33/h23-26,30,36H,2-22,27-29H2,1H3,(H,35,37)
InChIKey
LQPINJBBNVSTDE-UHFFFAOYSA-N
Compound name
N-[2-(1H-indol-3-yl)ethyl]tetracosanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

8
Patents

510.45493 Da
Monoisotopic Mass

13.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 511.46221 243.3
[M+Na]+ 533.44415 250.3
[M+NH4]+ 528.48875 247.5
[M+K]+ 549.41809 240.2
[M-H]- 509.44765 243.9
[M+Na-2H]- 531.42960 243.2
[M]+ 510.45438 244.1
[M]- 510.45548 244.1
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