CID 5172179

2-((3'-tertbutyl-4'-hydroxyphenyl)azo)benzoic acid

Structural Information

Molecular Formula
C17H18N2O3
SMILES
CC(C)(C)C1=C(C=CC(=C1)N=NC2=CC=CC=C2C(=O)O)O
InChI
InChI=1S/C17H18N2O3/c1-17(2,3)13-10-11(8-9-15(13)20)18-19-14-7-5-4-6-12(14)16(21)22/h4-10,20H,1-3H3,(H,21,22)
InChIKey
RLAQYNIYEMUFPA-UHFFFAOYSA-N
Compound name
2-[(3-tert-butyl-4-hydroxyphenyl)diazenyl]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

298.13174 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.13902 169.0
[M+Na]+ 321.12096 175.9
[M-H]- 297.12446 176.3
[M+NH4]+ 316.16556 183.8
[M+K]+ 337.09490 173.1
[M+H-H2O]+ 281.12900 161.2
[M+HCOO]- 343.12994 192.8
[M+CH3COO]- 357.14559 209.1
[M+Na-2H]- 319.10641 173.8
[M]+ 298.13119 170.5
[M]- 298.13229 170.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe