CID 459052

L-o-(2-hydroxy-1-naphthylazo)-alpha-phenylhippuric acid

Structural Information

Molecular Formula
C25H19N3O4
SMILES
C1=CC=C(C=C1)C(C(=O)O)NC(=O)C2=CC=CC=C2N=NC3=C(C=CC4=CC=CC=C43)O
InChI
InChI=1S/C25H19N3O4/c29-21-15-14-16-8-4-5-11-18(16)23(21)28-27-20-13-7-6-12-19(20)24(30)26-22(25(31)32)17-9-2-1-3-10-17/h1-15,22,29H,(H,26,30)(H,31,32)
InChIKey
KMVZXFMYRWGVAS-UHFFFAOYSA-N
Compound name
2-[[2-[(2-hydroxynaphthalen-1-yl)diazenyl]benzoyl]amino]-2-phenylacetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

425.13754 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 426.14482 198.2
[M+Na]+ 448.12676 201.6
[M-H]- 424.13026 208.0
[M+NH4]+ 443.17136 206.5
[M+K]+ 464.10070 197.6
[M+H-H2O]+ 408.13480 187.0
[M+HCOO]- 470.13574 220.7
[M+CH3COO]- 484.15139 235.2
[M+Na-2H]- 446.11221 202.4
[M]+ 425.13699 197.6
[M]- 425.13809 197.6
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.