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
2
Annotation Hits

0
References

4
Patents

346.14297 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.15025 181.3
[M+Na]+ 369.13219 188.5
[M-H]- 345.13569 195.4
[M+NH4]+ 364.17679 195.0
[M+K]+ 385.10613 185.3
[M+H-H2O]+ 329.14023 169.8
[M+HCOO]- 391.14117 214.0
[M+CH3COO]- 405.15682 229.3
[M+Na-2H]- 367.11764 188.7
[M]+ 346.14242 185.2
[M]- 346.14352 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