CID 135666429

55993-15-2

Structural Information

Molecular Formula
C25H24N4O7
SMILES
CCOCCOCCN1C(=O)C2=CC=CC3=C2C(=CC(=C3O)N=NC4=C(C=C(C=C4)[N+](=O)[O-])C)C1=O
InChI
InChI=1S/C25H24N4O7/c1-3-35-11-12-36-10-9-28-24(31)18-6-4-5-17-22(18)19(25(28)32)14-21(23(17)30)27-26-20-8-7-16(29(33)34)13-15(20)2/h4-8,13-14,30H,3,9-12H2,1-2H3
InChIKey
LBTJLLHSDMFUTN-UHFFFAOYSA-N
Compound name
2-[2-(2-ethoxyethoxy)ethyl]-6-hydroxy-5-[(2-methyl-4-nitrophenyl)diazenyl]benzo[de]isoquinoline-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

492.1645 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 493.17178 215.9
[M+Na]+ 515.15372 220.2
[M-H]- 491.15722 222.9
[M+NH4]+ 510.19832 222.4
[M+K]+ 531.12766 213.2
[M+H-H2O]+ 475.16176 208.0
[M+HCOO]- 537.16270 236.3
[M+CH3COO]- 551.17835 246.1
[M+Na-2H]- 513.13917 221.7
[M]+ 492.16395 221.8
[M]- 492.16505 221.8
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.