CID 118351

Einecs 251-281-3

Structural Information

Molecular Formula
C22H14N4O4
SMILES
C1=CC2=C(C=C1C(=O)N)C(=O)C3=CC4=C(C=C3N2)C(=O)C5=C(N4)C=CC(=C5)C(=O)N
InChI
InChI=1S/C22H14N4O4/c23-21(29)9-1-3-15-11(5-9)19(27)13-8-18-14(7-17(13)25-15)20(28)12-6-10(22(24)30)2-4-16(12)26-18/h1-8H,(H2,23,29)(H2,24,30)(H,25,27)(H,26,28)
InChIKey
ATZRWFMBPNCDIO-UHFFFAOYSA-N
Compound name
7,14-dioxo-5,12-dihydroquinolino[2,3-b]acridine-2,9-dicarboxamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

398.1015 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 399.108776 190.5
[M+Na]+ 421.090718 202.0
[M-H]- 397.094224 193.3
[M+NH4]+ 416.135323 200.3
[M+K]+ 437.064658 194.5
[M+H-H2O]+ 381.098760 180.9
[M+HCOO]- 443.099701 206.0
[M+CH3COO]- 457.115351 199.3
[M+Na-2H]- 419.076166 197.8
[M]+ 398.10095142 191.4
[M]- 398.10204858 191.4
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.