CID 413160

6642-56-4

Structural Information

Molecular Formula
C24H14N2O3
SMILES
C1=CC=C2C(=C1)C=CC(=C2N=NC3=CC4=C(C=C3)C(=O)C5=CC=CC=C5C4=O)O
InChI
InChI=1S/C24H14N2O3/c27-21-12-9-14-5-1-2-6-16(14)22(21)26-25-15-10-11-19-20(13-15)24(29)18-8-4-3-7-17(18)23(19)28/h1-13,27H
InChIKey
KESOSAWCVMRUDN-UHFFFAOYSA-N
Compound name
2-[(2-hydroxynaphthalen-1-yl)diazenyl]anthracene-9,10-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

378.10043 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 379.10771 185.8
[M+Na]+ 401.08965 195.1
[M-H]- 377.09315 196.5
[M+NH4]+ 396.13425 200.2
[M+K]+ 417.06359 188.9
[M+H-H2O]+ 361.09769 174.8
[M+HCOO]- 423.09863 208.2
[M+CH3COO]- 437.11428 196.7
[M+Na-2H]- 399.07510 193.8
[M]+ 378.09988 187.3
[M]- 378.10098 187.3
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.