CID 469264

12-(4-o-methyl-.beta.-d-glucopyranosyl)-13-n-methyl-6,7,12,13-tetrahydro-5,7-dioxo(5h)indolo[2,3-a]furo[3,4-c]carbazole

Structural Information

Molecular Formula
C28H24N2O8
SMILES
CN1C2=CC=CC=C2C3=C4C(=C5C6=CC=CC=C6N(C5=C31)C7C(C(C(C(O7)CO)OC)O)O)C(=O)OC4=O
InChI
InChI=1S/C28H24N2O8/c1-29-14-9-5-3-7-12(14)17-19-20(28(35)38-27(19)34)18-13-8-4-6-10-15(13)30(22(18)21(17)29)26-24(33)23(32)25(36-2)16(11-31)37-26/h3-10,16,23-26,31-33H,11H2,1-2H3
InChIKey
GLOOVDUDWGDMKB-UHFFFAOYSA-N
Compound name
3-[3,4-dihydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]-23-methyl-13-oxa-3,23-diazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4,6,8,10,15,17,19,21-nonaene-12,14-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

516.15326 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 517.16054 217.9
[M+Na]+ 539.14248 229.3
[M-H]- 515.14598 227.5
[M+NH4]+ 534.18708 227.6
[M+K]+ 555.11642 226.5
[M+H-H2O]+ 499.15052 212.9
[M+HCOO]- 561.15146 228.1
[M+CH3COO]- 575.16711 226.7
[M+Na-2H]- 537.12793 214.2
[M]+ 516.15271 227.9
[M]- 516.15381 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.