CID 77329

Benzo[a]naphth[2,3-h]acridine-5,8,13(14h)-trione

Structural Information

Molecular Formula
C25H13NO3
SMILES
C1=CC=C2C(=C1)C=CC3=C2C(=O)C4=C(N3)C5=C(C=C4)C(=O)C6=CC=CC=C6C5=O
InChI
InChI=1S/C25H13NO3/c27-23-15-7-3-4-8-16(15)24(28)21-17(23)10-11-18-22(21)26-19-12-9-13-5-1-2-6-14(13)20(19)25(18)29/h1-12H,(H,26,29)
InChIKey
UYDYTUHDRBBLFB-UHFFFAOYSA-N
Compound name
26-azahexacyclo[12.12.0.02,11.04,9.016,25.017,22]hexacosa-1(14),2(11),4,6,8,12,16(25),17,19,21,23-undecaene-3,10,15-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

375.08954 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.09682 186.2
[M+Na]+ 398.07876 198.1
[M-H]- 374.08226 192.3
[M+NH4]+ 393.12336 200.6
[M+K]+ 414.05270 189.3
[M+H-H2O]+ 358.08680 174.7
[M+HCOO]- 420.08774 200.8
[M+CH3COO]- 434.10339 196.1
[M+Na-2H]- 396.06421 194.7
[M]+ 375.08899 187.6
[M]- 375.09009 187.6
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

patents stripe