CID 383958

Nsc672962

Structural Information

Molecular Formula
C19H11NO3
SMILES
C1=CC=C2C(=C1)C(=O)C3=C(C4=CC=CC=C4N=C3C2=O)CC=O
InChI
InChI=1S/C19H11NO3/c21-10-9-12-11-5-3-4-8-15(11)20-17-16(12)18(22)13-6-1-2-7-14(13)19(17)23/h1-8,10H,9H2
InChIKey
CEELACWSALXQQQ-UHFFFAOYSA-N
Compound name
2-(6,11-dioxobenzo[b]acridin-12-yl)acetaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

301.07388 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.08116 166.6
[M+Na]+ 324.06310 177.5
[M-H]- 300.06660 172.0
[M+NH4]+ 319.10770 183.4
[M+K]+ 340.03704 171.3
[M+H-H2O]+ 284.07114 157.6
[M+HCOO]- 346.07208 185.1
[M+CH3COO]- 360.08773 178.5
[M+Na-2H]- 322.04855 174.2
[M]+ 301.07333 169.0
[M]- 301.07443 169.0
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.