CID 154699497

(2s,3s,4s,5r,6s)-3,4,5-trihydroxy-6-((9-methyl-3-((2-methyl-1h-imidazol-1-yl)methyl)-4-oxo-2,3,4,9-tetrahydro-1h-carbazol-7-yl)oxy)tetrahydro-2h-pyran-2-carboxylic acid

Structural Information

Molecular Formula
C24H27N3O8
SMILES
CC1=NC=CN1CC2CCC3=C(C2=O)C4=C(N3C)C=C(C=C4)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O
InChI
InChI=1S/C24H27N3O8/c1-11-25-7-8-27(11)10-12-3-6-15-17(18(12)28)14-5-4-13(9-16(14)26(15)2)34-24-21(31)19(29)20(30)22(35-24)23(32)33/h4-5,7-9,12,19-22,24,29-31H,3,6,10H2,1-2H3,(H,32,33)/t12?,19-,20-,21+,22-,24+/m0/s1
InChIKey
AYBPIAZKEUHJJR-DMBZKHIPSA-N
Compound name
(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[[9-methyl-6-[(2-methylimidazol-1-yl)methyl]-5-oxo-7,8-dihydro-6H-carbazol-2-yl]oxy]oxane-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

485.1798 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 486.18708 215.7
[M+Na]+ 508.16902 225.5
[M+NH4]+ 503.21362 218.3
[M+K]+ 524.14296 227.2
[M-H]- 484.17252 217.4
[M+Na-2H]- 506.15447 213.8
[M]+ 485.17925 217.1
[M]- 485.18035 217.1
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.