CID 392232

Nsc692364

Structural Information

Molecular Formula
C29H26N2O7
SMILES
CC(=O)OC1COC(C(C1OC(=O)C)OC(=O)C)N2C3=CC=CC=C3C4=C2C5=C(C=C4)C6=CC=CC=C6N5
InChI
InChI=1S/C29H26N2O7/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/h4-13,24,27-30H,14H2,1-3H3
InChIKey
IEETTZJIVHLYRY-UHFFFAOYSA-N
Compound name
[4,5-diacetyloxy-6-(11H-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

514.174 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 515.18128 220.3
[M+Na]+ 537.16322 228.0
[M-H]- 513.16672 228.7
[M+NH4]+ 532.20782 228.7
[M+K]+ 553.13716 225.2
[M+H-H2O]+ 497.17126 211.6
[M+HCOO]- 559.17220 232.4
[M+CH3COO]- 573.18785 228.0
[M+Na-2H]- 535.14867 218.3
[M]+ 514.17345 228.6
[M]- 514.17455 228.6
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.