CID 135666593

42358-39-4

Structural Information

Molecular Formula
C22H18ClN3O4
SMILES
COCCCN1C(=O)C2=CC=CC3=C2C(=CC(=C3O)N=NC4=CC=C(C=C4)Cl)C1=O
InChI
InChI=1S/C22H18ClN3O4/c1-30-11-3-10-26-21(28)16-5-2-4-15-19(16)17(22(26)29)12-18(20(15)27)25-24-14-8-6-13(23)7-9-14/h2,4-9,12,27H,3,10-11H2,1H3
InChIKey
ABVXLHURFQNCLR-UHFFFAOYSA-N
Compound name
5-[(4-chlorophenyl)diazenyl]-6-hydroxy-2-(3-methoxypropyl)benzo[de]isoquinoline-1,3-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

423.09857 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 424.10585 197.5
[M+Na]+ 446.08779 213.2
[M+NH4]+ 441.13239 204.8
[M+K]+ 462.06173 203.8
[M-H]- 422.09129 202.8
[M+Na-2H]- 444.07324 203.5
[M]+ 423.09802 201.5
[M]- 423.09912 201.5
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.