CID 81172

Phenol, 4-[[2-methoxy-5-methyl-4-(phenylazo)phenyl]azo]-

Structural Information

Molecular Formula
C20H18N4O2
SMILES
CC1=CC(=C(C=C1N=NC2=CC=CC=C2)OC)N=NC3=CC=C(C=C3)O
InChI
InChI=1S/C20H18N4O2/c1-14-12-19(24-22-16-8-10-17(25)11-9-16)20(26-2)13-18(14)23-21-15-6-4-3-5-7-15/h3-13,25H,1-2H3
InChIKey
NQNIWQLHLJISGU-UHFFFAOYSA-N
Compound name
4-[(2-methoxy-5-methyl-4-phenyldiazenylphenyl)diazenyl]phenol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

9
Patents

346.14297 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.150246 181.3
[M+Na]+ 369.132188 188.5
[M-H]- 345.135694 195.4
[M+NH4]+ 364.176793 195.0
[M+K]+ 385.106128 185.3
[M+H-H2O]+ 329.140230 169.8
[M+HCOO]- 391.141171 214.0
[M+CH3COO]- 405.156821 229.3
[M+Na-2H]- 367.117636 188.7
[M]+ 346.14242142 185.2
[M]- 346.14351858 185.2
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

patents stripe