CID 154699906

Ns00117630

Structural Information

Molecular Formula
C18H24N2O7
SMILES
CN(C)CCC1=CNC2=C1C(=CC=C2)OC3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O
InChI
InChI=1S/C18H24N2O7/c1-20(2)7-6-9-8-19-10-4-3-5-11(12(9)10)26-18-15(23)13(21)14(22)16(27-18)17(24)25/h3-5,8,13-16,18-19,21-23H,6-7H2,1-2H3,(H,24,25)/t13-,14-,15+,16-,18?/m0/s1
InChIKey
QPZFVYCQQOLROG-PDHYLSHYSA-N
Compound name
(2S,3S,4S,5R)-6-[[3-[2-(dimethylamino)ethyl]-1H-indol-4-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

380.15836 Da
Monoisotopic Mass

-1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.16564 187.8
[M+Na]+ 403.14758 195.7
[M+NH4]+ 398.19218 191.1
[M+K]+ 419.12152 196.1
[M-H]- 379.15108 188.5
[M+Na-2H]- 401.13303 187.2
[M]+ 380.15781 188.5
[M]- 380.15891 188.5
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.