CID 162510634

Luvesilocin

Structural Information

Molecular Formula
C21H30N2O4
SMILES
CC(C)N(CCC1=CNC2=C1C(=CC=C2)OC(=O)CCCC(=O)O)C(C)C
InChI
InChI=1S/C21H30N2O4/c1-14(2)23(15(3)4)12-11-16-13-22-17-7-5-8-18(21(16)17)27-20(26)10-6-9-19(24)25/h5,7-8,13-15,22H,6,9-12H2,1-4H3,(H,24,25)
InChIKey
LSDOIAGGRBGDJJ-UHFFFAOYSA-N
Compound name
5-[[3-[2-[di(propan-2-yl)amino]ethyl]-1H-indol-4-yl]oxy]-5-oxopentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

18
Patents

374.22055 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.22783 194.2
[M+Na]+ 397.20977 197.7
[M-H]- 373.21327 195.4
[M+NH4]+ 392.25437 206.5
[M+K]+ 413.18371 195.3
[M+H-H2O]+ 357.21781 186.4
[M+HCOO]- 419.21875 211.0
[M+CH3COO]- 433.23440 222.0
[M+Na-2H]- 395.19522 190.6
[M]+ 374.22000 199.0
[M]- 374.22110 199.0
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