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 184.9
[M+Na]+ 389.16830 190.4
[M-H]- 365.17180 187.0
[M+NH4]+ 384.21290 194.8
[M+K]+ 405.14224 187.8
[M+H-H2O]+ 349.17634 177.7
[M+HCOO]- 411.17728 198.2
[M+CH3COO]- 425.19293 212.7
[M+Na-2H]- 387.15375 184.1
[M]+ 366.17853 185.8
[M]- 366.17963 185.8
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