CID 3009744

11-(4-o-methyl-.beta.-d-glucopyranosyl)-6-formyl-5-methyl-6,7,12,13-tetrahydroindolo[2.3-a] carbazole

Structural Information

Molecular Formula
C27H26N2O6
SMILES
CC1=C(C2=C(C3=C1C4=CC=CC=C4N3)N(C5=CC=CC=C52)C6[C@H]([C@@H]([C@@H]([C@@H](O6)OC)OC)O)O)C=O
InChI
InChI=1S/C27H26N2O6/c1-13-16(12-30)20-15-9-5-7-11-18(15)29(26-24(32)23(31)25(33-2)27(34-3)35-26)22(20)21-19(13)14-8-4-6-10-17(14)28-21/h4-12,23-28,31-32H,1-3H3/t23-,24-,25-,26?,27+/m0/s1
InChIKey
QPPLWCPJDPNPRB-FPWODPENSA-N
Compound name
12-[(3S,4S,5S,6R)-3,4-dihydroxy-5,6-dimethoxyoxan-2-yl]-6-methyl-11H-indolo[2,3-a]carbazole-5-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

474.17908 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 475.18636 213.9
[M+Na]+ 497.16830 225.1
[M-H]- 473.17180 220.9
[M+NH4]+ 492.21290 224.0
[M+K]+ 513.14224 219.7
[M+H-H2O]+ 457.17634 206.0
[M+HCOO]- 519.17728 226.2
[M+CH3COO]- 533.19293 222.6
[M+Na-2H]- 495.15375 212.8
[M]+ 474.17853 221.7
[M]- 474.17963 221.7
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.