CID 4399393

Ns00007296

Structural Information

Molecular Formula
C21H21NO2
SMILES
CC(C)(C1=CC=C(C=C1)O)C2=CC=C(C=C2)OC3=CC=C(C=C3)N
InChI
InChI=1S/C21H21NO2/c1-21(2,15-3-9-18(23)10-4-15)16-5-11-19(12-6-16)24-20-13-7-17(22)8-14-20/h3-14,23H,22H2,1-2H3
InChIKey
QGBHQEBQOHITDU-UHFFFAOYSA-N
Compound name
4-[2-[4-(4-aminophenoxy)phenyl]propan-2-yl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

319.15723 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.16451 177.2
[M+Na]+ 342.14645 183.8
[M-H]- 318.14995 185.3
[M+NH4]+ 337.19105 190.0
[M+K]+ 358.12039 178.3
[M+H-H2O]+ 302.15449 168.5
[M+HCOO]- 364.15543 198.1
[M+CH3COO]- 378.17108 208.9
[M+Na-2H]- 340.13190 181.5
[M]+ 319.15668 176.0
[M]- 319.15778 176.0
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.