CID 459067

2-hydroxy-5-[(e)-[4-[4-[(e)-(1-hydroxy-2-naphthyl)azo]phenyl]phenyl]azo]benzoic acid

Structural Information

Molecular Formula
C29H20N4O4
SMILES
C1=CC=C2C(=C1)C=CC(=C2O)N=NC3=CC=C(C=C3)C4=CC=C(C=C4)N=NC5=CC(=C(C=C5)O)C(=O)O
InChI
InChI=1S/C29H20N4O4/c34-27-16-14-23(17-25(27)29(36)37)32-30-21-10-5-18(6-11-21)19-7-12-22(13-8-19)31-33-26-15-9-20-3-1-2-4-24(20)28(26)35/h1-17,34-35H,(H,36,37)
InChIKey
NGEOESQPLMFFLY-UHFFFAOYSA-N
Compound name
2-hydroxy-5-[[4-[4-[(1-hydroxynaphthalen-2-yl)diazenyl]phenyl]phenyl]diazenyl]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

488.14847 Da
Monoisotopic Mass

7.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 489.15575 215.2
[M+Na]+ 511.13769 220.6
[M-H]- 487.14119 229.7
[M+NH4]+ 506.18229 221.4
[M+K]+ 527.11163 215.9
[M+H-H2O]+ 471.14573 201.6
[M+HCOO]- 533.14667 241.2
[M+CH3COO]- 547.16232 223.5
[M+Na-2H]- 509.12314 220.9
[M]+ 488.14792 216.5
[M]- 488.14902 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.