CID 459057

P-(p-acetamidophenylazo)benzoic acid

Structural Information

Molecular Formula
C15H13N3O3
SMILES
CC(=O)NC1=CC=C(C=C1)N=NC2=CC=C(C=C2)C(=O)O
InChI
InChI=1S/C15H13N3O3/c1-10(19)16-12-6-8-14(9-7-12)18-17-13-4-2-11(3-5-13)15(20)21/h2-9H,1H3,(H,16,19)(H,20,21)
InChIKey
FMKADTXFVKHRSO-UHFFFAOYSA-N
Compound name
4-[(4-acetamidophenyl)diazenyl]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

283.0957 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.10298 162.8
[M+Na]+ 306.08492 168.7
[M-H]- 282.08842 171.1
[M+NH4]+ 301.12952 177.8
[M+K]+ 322.05886 166.5
[M+H-H2O]+ 266.09296 153.9
[M+HCOO]- 328.09390 190.5
[M+CH3COO]- 342.10955 209.2
[M+Na-2H]- 304.07037 168.1
[M]+ 283.09515 163.4
[M]- 283.09625 163.4
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.