CID 77114

Naphth[2,3-c]acridine-5,8,14(13h)-trione

Structural Information

Molecular Formula
C21H11NO3
SMILES
C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C4=C(C=C3)C(=O)C5=CC=CC=C5N4
InChI
InChI=1S/C21H11NO3/c23-19-11-5-1-2-6-12(11)21(25)17-14(19)9-10-15-18(17)22-16-8-4-3-7-13(16)20(15)24/h1-10H,(H,22,24)
InChIKey
BARVYLKNIVAHDY-UHFFFAOYSA-N
Compound name
13H-naphtho[2,3-c]acridine-5,8,14-trione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

17
Patents

325.07388 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.08116 172.0
[M+Na]+ 348.06310 184.3
[M-H]- 324.06660 177.5
[M+NH4]+ 343.10770 188.0
[M+K]+ 364.03704 176.4
[M+H-H2O]+ 308.07114 162.3
[M+HCOO]- 370.07208 188.9
[M+CH3COO]- 384.08773 183.3
[M+Na-2H]- 346.04855 181.0
[M]+ 325.07333 173.5
[M]- 325.07443 173.5
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

patents stripe