CID 393103

Nsc694489

Structural Information

Molecular Formula
C20H11NO3
SMILES
C=C(C=O)C1=C2C(=NC3=CC=CC=C31)C(=O)C4=CC=CC=C4C2=O
InChI
InChI=1S/C20H11NO3/c1-11(10-22)16-14-8-4-5-9-15(14)21-18-17(16)19(23)12-6-2-3-7-13(12)20(18)24/h2-10H,1H2
InChIKey
GDKOOOSGQUWYIV-UHFFFAOYSA-N
Compound name
2-(6,11-dioxobenzo[b]acridin-12-yl)prop-2-enal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

313.07388 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.08116 169.7
[M+Na]+ 336.06310 180.0
[M-H]- 312.06660 174.8
[M+NH4]+ 331.10770 185.7
[M+K]+ 352.03704 173.5
[M+H-H2O]+ 296.07114 160.7
[M+HCOO]- 358.07208 186.9
[M+CH3COO]- 372.08773 181.0
[M+Na-2H]- 334.04855 175.6
[M]+ 313.07333 171.1
[M]- 313.07443 171.1
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.