CID 171120961

Pentacosanylserotonin

Structural Information

Molecular Formula
C35H60N2O2
SMILES
CCCCCCCCCCCCCCCCCCCCCCCCC(=O)NCCC1=CNC2=C1C=C(C=C2)O
InChI
InChI=1S/C35H60N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-35(39)36-28-27-31-30-37-34-26-25-32(38)29-33(31)34/h25-26,29-30,37-38H,2-24,27-28H2,1H3,(H,36,39)
InChIKey
QVCGYWQXBCZOPH-UHFFFAOYSA-N
Compound name
N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]pentacosanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

540.46545 Da
Monoisotopic Mass

12.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 541.47273 248.3
[M+Na]+ 563.45467 246.2
[M-H]- 539.45817 244.7
[M+NH4]+ 558.49927 253.3
[M+K]+ 579.42861 236.7
[M+H-H2O]+ 523.46271 237.4
[M+HCOO]- 585.46365 262.1
[M+CH3COO]- 599.47930 253.3
[M+Na-2H]- 561.44012 241.5
[M]+ 540.46490 256.2
[M]- 540.46600 256.2
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

No patent data available for this compound.