CID 362451

Nsc626398

Structural Information

Molecular Formula
C28H15NO4
SMILES
C1=CC=C2C(=C1)C(=O)C=C(C2=O)C3=C(NC4=CC=CC=C43)C5=CC(=O)C6=CC=CC=C6C5=O
InChI
InChI=1S/C28H15NO4/c30-23-13-20(27(32)17-9-3-1-7-15(17)23)25-19-11-5-6-12-22(19)29-26(25)21-14-24(31)16-8-2-4-10-18(16)28(21)33/h1-14,29H
InChIKey
BHGBQAOUNJGRMI-UHFFFAOYSA-N
Compound name
2-[2-(1,4-dioxonaphthalen-2-yl)-1H-indol-3-yl]naphthalene-1,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

429.1001 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 430.10738 203.7
[M+Na]+ 452.08932 214.6
[M-H]- 428.09282 214.6
[M+NH4]+ 447.13392 215.4
[M+K]+ 468.06326 205.8
[M+H-H2O]+ 412.09736 192.8
[M+HCOO]- 474.09830 220.5
[M+CH3COO]- 488.11395 213.3
[M+Na-2H]- 450.07477 204.8
[M]+ 429.09955 204.4
[M]- 429.10065 204.4
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.