CID 57920671

Schembl3815737

Structural Information

Molecular Formula
C31H52N2O2
SMILES
CCCCCCCCCCCCCCCCCCCCC(=O)NCCC1=CNC2=C1C=C(C=C2)O
InChI
InChI=1S/C31H52N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-31(35)32-24-23-27-26-33-30-22-21-28(34)25-29(27)30/h21-22,25-26,33-34H,2-20,23-24H2,1H3,(H,32,35)
InChIKey
VWFBMXJXOGZRPQ-UHFFFAOYSA-N
Compound name
N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]henicosanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

484.4029 Da
Monoisotopic Mass

10.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 485.41018 231.6
[M+Na]+ 507.39212 231.4
[M-H]- 483.39562 228.9
[M+NH4]+ 502.43672 239.1
[M+K]+ 523.36606 222.8
[M+H-H2O]+ 467.40016 221.5
[M+HCOO]- 529.40110 246.9
[M+CH3COO]- 543.41675 241.9
[M+Na-2H]- 505.37757 226.8
[M]+ 484.40235 238.3
[M]- 484.40345 238.3
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

patents stripe