CID 135666543

Dtxsid8068383

Structural Information

Molecular Formula
C21H16N4O6
SMILES
CCN1C(=O)C2=CC=CC3=C2C(=CC(=C3O)N=NC4=C(C=C(C=C4)[N+](=O)[O-])OC)C1=O
InChI
InChI=1S/C21H16N4O6/c1-3-24-20(27)13-6-4-5-12-18(13)14(21(24)28)10-16(19(12)26)23-22-15-8-7-11(25(29)30)9-17(15)31-2/h4-10,26H,3H2,1-2H3
InChIKey
BCKFAEHMRREKIN-UHFFFAOYSA-N
Compound name
2-ethyl-6-hydroxy-5-[(2-methoxy-4-nitrophenyl)diazenyl]benzo[de]isoquinoline-1,3-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

420.107 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 421.11428 195.4
[M+Na]+ 443.09622 202.1
[M-H]- 419.09972 203.4
[M+NH4]+ 438.14082 205.2
[M+K]+ 459.07016 194.9
[M+H-H2O]+ 403.10426 188.7
[M+HCOO]- 465.10520 217.2
[M+CH3COO]- 479.12085 232.2
[M+Na-2H]- 441.08167 202.8
[M]+ 420.10645 198.9
[M]- 420.10755 198.9
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.