CID 112752

61827-72-3

Structural Information

Molecular Formula
C21H20N2O
SMILES
CC(C)(C1=CC=CC=C1)C2=CC(=C(C=C2)O)N=NC3=CC=CC=C3
InChI
InChI=1S/C21H20N2O/c1-21(2,16-9-5-3-6-10-16)17-13-14-20(24)19(15-17)23-22-18-11-7-4-8-12-18/h3-15,24H,1-2H3
InChIKey
GVMFWMBAYSJHFF-UHFFFAOYSA-N
Compound name
2-phenyldiazenyl-4-(2-phenylpropan-2-yl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

316.15756 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.16484 175.8
[M+Na]+ 339.14678 182.0
[M-H]- 315.15028 186.7
[M+NH4]+ 334.19138 189.8
[M+K]+ 355.12072 177.1
[M+H-H2O]+ 299.15482 166.1
[M+HCOO]- 361.15576 201.4
[M+CH3COO]- 375.17141 214.5
[M+Na-2H]- 337.13223 183.1
[M]+ 316.15701 175.9
[M]- 316.15811 175.9
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.