CID 103254

Phthalimide, n-(4,5-dinitroanthraquinonyl)-

Structural Information

Molecular Formula
C22H9N3O8
SMILES
C1=CC=C2C(=C1)C(=O)N(C2=O)C3=C4C(=C(C=C3)[N+](=O)[O-])C(=O)C5=C(C4=O)C=CC=C5[N+](=O)[O-]
InChI
InChI=1S/C22H9N3O8/c26-19-12-6-3-7-14(24(30)31)16(12)20(27)18-15(25(32)33)9-8-13(17(18)19)23-21(28)10-4-1-2-5-11(10)22(23)29/h1-9H
InChIKey
HZUXLYDHMMOULV-UHFFFAOYSA-N
Compound name
2-(4,5-dinitro-9,10-dioxoanthracen-1-yl)isoindole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

443.03897 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 444.04625 199.6
[M+Na]+ 466.02819 205.1
[M-H]- 442.03169 207.9
[M+NH4]+ 461.07279 208.5
[M+K]+ 482.00213 192.7
[M+H-H2O]+ 426.03623 198.3
[M+HCOO]- 488.03717 217.4
[M+CH3COO]- 502.05282 222.0
[M+Na-2H]- 464.01364 206.5
[M]+ 443.03842 198.1
[M]- 443.03952 198.1
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.