CID 392220

Nsc692353

Structural Information

Molecular Formula
C28H32N2O9
SMILES
COC(=O)CC1C(N(C2=CC=CC=C12)C3C(C(C(C(O3)CO)O)O)O)C4=C(C5=CC=CC=C5N4)CC(=O)OC
InChI
InChI=1S/C28H32N2O9/c1-37-21(32)11-16-14-7-3-5-9-18(14)29-23(16)24-17(12-22(33)38-2)15-8-4-6-10-19(15)30(24)28-27(36)26(35)25(34)20(13-31)39-28/h3-10,17,20,24-29,31,34-36H,11-13H2,1-2H3
InChIKey
LFXBWOVEVRYJEL-UHFFFAOYSA-N
Compound name
methyl 2-[2-[3-(2-methoxy-2-oxoethyl)-1H-indol-2-yl]-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-2,3-dihydroindol-3-yl]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

540.21075 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 541.21803 225.1
[M+Na]+ 563.19997 228.8
[M-H]- 539.20347 229.3
[M+NH4]+ 558.24457 228.2
[M+K]+ 579.17391 226.4
[M+H-H2O]+ 523.20801 217.9
[M+HCOO]- 585.20895 230.9
[M+CH3COO]- 599.22460 242.3
[M+Na-2H]- 561.18542 217.8
[M]+ 540.21020 227.9
[M]- 540.21130 227.9
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

No patent data available for this compound.