CID 83047

Phenol, 2,4,6-tris(2-phenyldiazenyl)-

Structural Information

Molecular Formula
C24H18N6O
SMILES
C1=CC=C(C=C1)N=NC2=CC(=C(C(=C2)N=NC3=CC=CC=C3)O)N=NC4=CC=CC=C4
InChI
InChI=1S/C24H18N6O/c31-24-22(29-26-19-12-6-2-7-13-19)16-21(28-25-18-10-4-1-5-11-18)17-23(24)30-27-20-14-8-3-9-15-20/h1-17,31H
InChIKey
IEQLZGDCMJYXKN-UHFFFAOYSA-N
Compound name
2,4,6-tris(phenyldiazenyl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

406.1542 Da
Monoisotopic Mass

6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 407.16148 194.3
[M+Na]+ 429.14342 199.6
[M-H]- 405.14692 212.6
[M+NH4]+ 424.18802 205.0
[M+K]+ 445.11736 195.6
[M+H-H2O]+ 389.15146 180.1
[M+HCOO]- 451.15240 231.0
[M+CH3COO]- 465.16805 205.5
[M+Na-2H]- 427.12887 204.9
[M]+ 406.15365 196.5
[M]- 406.15475 196.5
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

patents stripe