CID 101159108

(z)-n-[2-(5-hydroxy-1h-indol-3-yl)ethyl]icos-11-enamide

Structural Information

Molecular Formula
C30H48N2O2
SMILES
CCCCCCCC/C=C\CCCCCCCCCC(=O)NCCC1=CNC2=C1C=C(C=C2)O
InChI
InChI=1S/C30H48N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-30(34)31-23-22-26-25-32-29-21-20-27(33)24-28(26)29/h9-10,20-21,24-25,32-33H,2-8,11-19,22-23H2,1H3,(H,31,34)/b10-9-
InChIKey
LMFYQBKLVUTGDP-KTKRTIGZSA-N
Compound name
(Z)-N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]icos-11-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

468.37158 Da
Monoisotopic Mass

9.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 469.37886 226.6
[M+Na]+ 491.36080 227.2
[M-H]- 467.36430 224.2
[M+NH4]+ 486.40540 234.8
[M+K]+ 507.33474 218.2
[M+H-H2O]+ 451.36884 216.8
[M+HCOO]- 513.36978 242.4
[M+CH3COO]- 527.38543 237.7
[M+Na-2H]- 489.34625 222.3
[M]+ 468.37103 232.2
[M]- 468.37213 232.2
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.