CID 101159107

(z)-n-[2-(5-hydroxy-1h-indol-3-yl)ethyl]docos-13-enamide

Structural Information

Molecular Formula
C32H52N2O2
SMILES
CCCCCCCC/C=C\CCCCCCCCCCCC(=O)NCCC1=CNC2=C1C=C(C=C2)O
InChI
InChI=1S/C32H52N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-32(36)33-25-24-28-27-34-31-23-22-29(35)26-30(28)31/h9-10,22-23,26-27,34-35H,2-8,11-21,24-25H2,1H3,(H,33,36)/b10-9-
InChIKey
ABYYCAVICKVDQH-KTKRTIGZSA-N
Compound name
(Z)-N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]docos-13-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

496.4029 Da
Monoisotopic Mass

10.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 497.41018 235.1
[M+Na]+ 519.39212 234.7
[M-H]- 495.39562 232.3
[M+NH4]+ 514.43672 242.0
[M+K]+ 535.36606 225.3
[M+H-H2O]+ 479.40016 224.9
[M+HCOO]- 541.40110 250.2
[M+CH3COO]- 555.41675 243.5
[M+Na-2H]- 517.37757 229.8
[M]+ 496.40235 241.3
[M]- 496.40345 241.3
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

No patent data available for this compound.