CID 3009743

(3s,4s,5s,6r)-5,6-dimethoxy-2-(5-methyl-11h-indolo[2,3-a]carbazol-12-yl)tetrahydropyran-3,4-diol

Structural Information

Molecular Formula
C26H26N2O5
SMILES
CC1=CC2=C(C3=C1C4=CC=CC=C4N3C5[C@H]([C@@H]([C@@H]([C@@H](O5)OC)OC)O)O)NC6=CC=CC=C62
InChI
InChI=1S/C26H26N2O5/c1-13-12-16-14-8-4-6-10-17(14)27-20(16)21-19(13)15-9-5-7-11-18(15)28(21)25-23(30)22(29)24(31-2)26(32-3)33-25/h4-12,22-27,29-30H,1-3H3/t22-,23-,24-,25?,26+/m0/s1
InChIKey
BMXLLWSVSQTHOD-BZFXNPAXSA-N
Compound name
(3S,4S,5S,6R)-5,6-dimethoxy-2-(5-methyl-11H-indolo[2,3-a]carbazol-12-yl)oxane-3,4-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

446.18417 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 447.19145 206.5
[M+Na]+ 469.17339 217.7
[M-H]- 445.17689 213.4
[M+NH4]+ 464.21799 217.8
[M+K]+ 485.14733 211.9
[M+H-H2O]+ 429.18143 198.6
[M+HCOO]- 491.18237 219.0
[M+CH3COO]- 505.19802 215.6
[M+Na-2H]- 467.15884 206.3
[M]+ 446.18362 213.0
[M]- 446.18472 213.0
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.