CID 3009746

2-(12h-11,12-diaza-indeno[2,1-a]fluoren-11-yl)-5,6-dimethoxy-tetrahydro-pyran-3,4-diol

Structural Information

Molecular Formula
C25H24N2O5
SMILES
CO[C@H]1[C@H]([C@@H](C(O[C@H]1OC)N2C3=CC=CC=C3C4=C2C5=C(C=C4)C6=CC=CC=C6N5)O)O
InChI
InChI=1S/C25H24N2O5/c1-30-23-21(28)22(29)24(32-25(23)31-2)27-18-10-6-4-8-14(18)16-12-11-15-13-7-3-5-9-17(13)26-19(15)20(16)27/h3-12,21-26,28-29H,1-2H3/t21-,22-,23-,24?,25+/m0/s1
InChIKey
PQVJYBPNZGHRIO-AEJGQRJRSA-N
Compound name
(3S,4S,5S,6R)-2-(11H-indolo[2,3-a]carbazol-12-yl)-5,6-dimethoxyoxane-3,4-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

432.16852 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 433.17580 200.2
[M+Na]+ 455.15774 211.2
[M-H]- 431.16124 207.0
[M+NH4]+ 450.20234 211.9
[M+K]+ 471.13168 205.5
[M+H-H2O]+ 415.16578 192.3
[M+HCOO]- 477.16672 213.3
[M+CH3COO]- 491.18237 209.6
[M+Na-2H]- 453.14319 201.4
[M]+ 432.16797 206.1
[M]- 432.16907 206.1
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.