CID 10792189

N-pentacosanoyltryptamine

Structural Information

Molecular Formula
C35H60N2O
SMILES
CCCCCCCCCCCCCCCCCCCCCCCCC(=O)NCCC1=CNC2=CC=CC=C21
InChI
InChI=1S/C35H60N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-28-35(38)36-30-29-32-31-37-34-27-25-24-26-33(32)34/h24-27,31,37H,2-23,28-30H2,1H3,(H,36,38)
InChIKey
CMFSUURRQYFHDN-UHFFFAOYSA-N
Compound name
N-[2-(1H-indol-3-yl)ethyl]pentacosanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

524.4706 Da
Monoisotopic Mass

14.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 525.47788 246.0
[M+Na]+ 547.45982 243.6
[M-H]- 523.46332 243.4
[M+NH4]+ 542.50442 252.2
[M+K]+ 563.43376 234.1
[M+H-H2O]+ 507.46786 234.7
[M+HCOO]- 569.46880 261.1
[M+CH3COO]- 583.48445 252.6
[M+Na-2H]- 545.44527 240.0
[M]+ 524.47005 254.0
[M]- 524.47115 254.0
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