CID 10311044

N-behenoyltryptamine

Structural Information

Molecular Formula
C32H54N2O
SMILES
CCCCCCCCCCCCCCCCCCCCCC(=O)NCCC1=CNC2=CC=CC=C21
InChI
InChI=1S/C32H54N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-25-32(35)33-27-26-29-28-34-31-24-22-21-23-30(29)31/h21-24,28,34H,2-20,25-27H2,1H3,(H,33,35)
InChIKey
HAWFHRQOMIMGFR-UHFFFAOYSA-N
Compound name
N-[2-(1H-indol-3-yl)ethyl]docosanamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

23
Patents

482.4236 Da
Monoisotopic Mass

12.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 483.43088 233.4
[M+Na]+ 505.41282 232.4
[M-H]- 481.41632 231.4
[M+NH4]+ 500.45742 241.4
[M+K]+ 521.38676 223.6
[M+H-H2O]+ 465.42086 222.6
[M+HCOO]- 527.42180 249.6
[M+CH3COO]- 541.43745 244.0
[M+Na-2H]- 503.39827 229.0
[M]+ 482.42305 240.4
[M]- 482.42415 240.4
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