CID 6712486

12-(2,3,4-tri-o-acetylpentopyranosyl)-4b,5,6,11,11b,12-hexahydroindolo[2,3-a]carbazole

Structural Information

Molecular Formula
C29H30N2O7
SMILES
CC(=O)OC1COC(C(C1OC(=O)C)OC(=O)C)N2[C@H]3[C@H](CCC4=C3NC5=CC=CC=C45)C6=CC=CC=C62
InChI
InChI=1S/C29H30N2O7/c1-15(32)36-24-14-35-29(28(38-17(3)34)27(24)37-16(2)33)31-23-11-7-5-9-19(23)21-13-12-20-18-8-4-6-10-22(18)30-25(20)26(21)31/h4-11,21,24,26-30H,12-14H2,1-3H3/t21-,24?,26+,27?,28?,29?/m1/s1
InChIKey
YZNXSENLRPQHDI-WOGBCJCVSA-N
Compound name
[4,5-diacetyloxy-6-[(4bR,11bS)-5,6,11,11b-tetrahydro-4bH-indolo[2,3-a]carbazol-12-yl]oxan-3-yl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

518.2053 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 519.21258 220.8
[M+Na]+ 541.19452 224.8
[M-H]- 517.19802 227.2
[M+NH4]+ 536.23912 228.7
[M+K]+ 557.16846 222.1
[M+H-H2O]+ 501.20256 212.5
[M+HCOO]- 563.20350 227.3
[M+CH3COO]- 577.21915 226.6
[M+Na-2H]- 539.17997 215.4
[M]+ 518.20475 223.7
[M]- 518.20585 223.7
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.