CID 459062

4-hydroxy-m,o'-azodibenzoic acid

Structural Information

Molecular Formula
C18H24N4
SMILES
CC1=C(C=CC(=C1)N=NC2=CC(=C(C=C2)N(C)C)C)N(C)C
InChI
InChI=1S/C18H24N4/c1-13-11-15(7-9-17(13)21(3)4)19-20-16-8-10-18(22(5)6)14(2)12-16/h7-12H,1-6H3
InChIKey
OKKFLSLQKQRGHW-UHFFFAOYSA-N
Compound name
4-[[4-(dimethylamino)-3-methylphenyl]diazenyl]-N,N,2-trimethylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

296.2001 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.20738 173.9
[M+Na]+ 319.18932 180.5
[M-H]- 295.19282 186.4
[M+NH4]+ 314.23392 191.1
[M+K]+ 335.16326 179.7
[M+H-H2O]+ 279.19736 164.0
[M+HCOO]- 341.19830 204.9
[M+CH3COO]- 355.21395 228.9
[M+Na-2H]- 317.17477 177.6
[M]+ 296.19955 178.5
[M]- 296.20065 178.5
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.