CID 135666542

Einecs 255-770-2

Structural Information

Molecular Formula
C20H14N4O6
SMILES
CN1C(=O)C2=CC=CC3=C2C(=CC(=C3O)N=NC4=C(C=C(C=C4)[N+](=O)[O-])OC)C1=O
InChI
InChI=1S/C20H14N4O6/c1-23-19(26)12-5-3-4-11-17(12)13(20(23)27)9-15(18(11)25)22-21-14-7-6-10(24(28)29)8-16(14)30-2/h3-9,25H,1-2H3
InChIKey
WCDDKUNFTZUFEA-UHFFFAOYSA-N
Compound name
6-hydroxy-5-[(2-methoxy-4-nitrophenyl)diazenyl]-2-methylbenzo[de]isoquinoline-1,3-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

406.09134 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 407.09862 190.7
[M+Na]+ 429.08056 197.9
[M-H]- 405.08406 198.9
[M+NH4]+ 424.12516 201.1
[M+K]+ 445.05450 190.9
[M+H-H2O]+ 389.08860 184.2
[M+HCOO]- 451.08954 212.9
[M+CH3COO]- 465.10519 229.3
[M+Na-2H]- 427.06601 198.7
[M]+ 406.09079 194.0
[M]- 406.09189 194.0
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.