CID 175219

Dtxsid00888289

Structural Information

Molecular Formula
C31H19N3O4
SMILES
C1=CC=C(C=C1)NC(=O)C2=CC3=CC=CC=C3C(=C2O)N=NC4=CC=CC5=C4C(=O)C6=CC=CC=C6C5=O
InChI
InChI=1S/C31H19N3O4/c35-28-21-13-6-7-14-22(21)29(36)26-23(28)15-8-16-25(26)33-34-27-20-12-5-4-9-18(20)17-24(30(27)37)31(38)32-19-10-2-1-3-11-19/h1-17,37H,(H,32,38)
InChIKey
PGNMEOJOGNIVGT-UHFFFAOYSA-N
Compound name
4-[(9,10-dioxoanthracen-1-yl)diazenyl]-3-hydroxy-N-phenylnaphthalene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

497.13754 Da
Monoisotopic Mass

6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 498.14482 215.9
[M+Na]+ 520.12676 222.3
[M-H]- 496.13026 228.5
[M+NH4]+ 515.17136 223.9
[M+K]+ 536.10070 216.4
[M+H-H2O]+ 480.13480 202.4
[M+HCOO]- 542.13574 236.6
[M+CH3COO]- 556.15139 223.7
[M+Na-2H]- 518.11221 221.7
[M]+ 497.13699 216.5
[M]- 497.13809 216.5
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.