CID 103994

51867-75-5

Structural Information

Molecular Formula
C25H14N2O5
SMILES
C1=CC=C2C(=C1)C=C(C(=C2N=NC3=CC=CC4=C3C(=O)C5=CC=CC=C5C4=O)O)C(=O)O
InChI
InChI=1S/C25H14N2O5/c28-22-15-8-3-4-9-16(15)23(29)20-17(22)10-5-11-19(20)26-27-21-14-7-2-1-6-13(14)12-18(24(21)30)25(31)32/h1-12,30H,(H,31,32)
InChIKey
FEIBQPLJMHRFMO-UHFFFAOYSA-N
Compound name
4-[(9,10-dioxoanthracen-1-yl)diazenyl]-3-hydroxynaphthalene-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

422.09027 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 423.09755 194.9
[M+Na]+ 445.07949 203.3
[M-H]- 421.08299 204.4
[M+NH4]+ 440.12409 206.5
[M+K]+ 461.05343 198.4
[M+H-H2O]+ 405.08753 184.1
[M+HCOO]- 467.08847 214.8
[M+CH3COO]- 481.10412 204.6
[M+Na-2H]- 443.06494 200.8
[M]+ 422.08972 197.0
[M]- 422.09082 197.0
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.