CID 22650

4-dimethylaminoazobenzene-4'-carboxylic acid

Structural Information

Molecular Formula
C15H15N3O2
SMILES
CN(C)C1=CC=C(C=C1)N=NC2=CC=C(C=C2)C(=O)O
InChI
InChI=1S/C15H15N3O2/c1-18(2)14-9-7-13(8-10-14)17-16-12-5-3-11(4-6-12)15(19)20/h3-10H,1-2H3,(H,19,20)
InChIKey
WCKQPPQRFNHPRJ-UHFFFAOYSA-N
Compound name
4-[[4-(dimethylamino)phenyl]diazenyl]benzoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

92
References

26528
Patents

269.11642 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.123696 160.8
[M+Na]+ 292.105638 166.9
[M-H]- 268.109144 170.4
[M+NH4]+ 287.150243 177.2
[M+K]+ 308.079578 165.5
[M+H-H2O]+ 252.113680 151.7
[M+HCOO]- 314.114621 189.6
[M+CH3COO]- 328.130271 210.9
[M+Na-2H]- 290.091086 166.5
[M]+ 269.11587142 162.6
[M]- 269.11696858 162.6
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