CID 10364815

Bismurrayaquinone a

Structural Information

Molecular Formula
C26H16N2O4
SMILES
CC1=C(C(=O)C2=C(C1=O)C3=CC=CC=C3N2)C4=C(C(=O)C5=C(C4=O)NC6=CC=CC=C65)C
InChI
InChI=1S/C26H16N2O4/c1-11-17(25(31)21-19(23(11)29)13-7-3-5-9-15(13)27-21)18-12(2)24(30)20-14-8-4-6-10-16(14)28-22(20)26(18)32/h3-10,27-28H,1-2H3
InChIKey
FKJFKIPTKQPIFB-UHFFFAOYSA-N
Compound name
3-methyl-2-(3-methyl-1,4-dioxo-9H-carbazol-2-yl)-9H-carbazole-1,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

420.111 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 421.11828 202.1
[M+Na]+ 443.10022 215.7
[M-H]- 419.10372 210.1
[M+NH4]+ 438.14482 216.3
[M+K]+ 459.07416 206.5
[M+H-H2O]+ 403.10826 194.2
[M+HCOO]- 465.10920 217.5
[M+CH3COO]- 479.12485 212.3
[M+Na-2H]- 441.08567 201.0
[M]+ 420.11045 205.9
[M]- 420.11155 205.9
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.