CID 74039123

Bufotenine o-glucoside

Structural Information

Molecular Formula
C18H26N2O6
SMILES
CN(C)CCC1=CNC2=C1C=C(C=C2)OC3C(C(C(C(O3)CO)O)O)O
InChI
InChI=1S/C18H26N2O6/c1-20(2)6-5-10-8-19-13-4-3-11(7-12(10)13)25-18-17(24)16(23)15(22)14(9-21)26-18/h3-4,7-8,14-19,21-24H,5-6,9H2,1-2H3
InChIKey
GNUFCIHWKPAEBF-UHFFFAOYSA-N
Compound name
2-[[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

366.17908 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.18636 186.5
[M+Na]+ 389.16830 195.2
[M+NH4]+ 384.21290 190.7
[M+K]+ 405.14224 194.3
[M-H]- 365.17180 188.1
[M+Na-2H]- 387.15375 186.6
[M]+ 366.17853 187.7
[M]- 366.17963 187.7
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