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]+ 297.207376 173.9
[M+Na]+ 319.189318 180.5
[M-H]- 295.192824 186.4
[M+NH4]+ 314.233923 191.1
[M+K]+ 335.163258 179.7
[M+H-H2O]+ 279.197360 164.0
[M+HCOO]- 341.198301 204.9
[M+CH3COO]- 355.213951 228.9
[M+Na-2H]- 317.174766 177.6
[M]+ 296.19955142 178.5
[M]- 296.20064858 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.