CID 139596710

Ns00004124

Structural Information

Molecular Formula
C19H23NO2
SMILES
CC(C)(C1=CC=C(C=C1)C(C)(C)C(=O)O)C2=CC=C(C=C2)N
InChI
InChI=1S/C19H23NO2/c1-18(2,14-9-11-16(20)12-10-14)13-5-7-15(8-6-13)19(3,4)17(21)22/h5-12H,20H2,1-4H3,(H,21,22)
InChIKey
PYQCXZQXWIESJV-UHFFFAOYSA-N
Compound name
2-[4-[2-(4-aminophenyl)propan-2-yl]phenyl]-2-methylpropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

297.17288 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.180156 171.4
[M+Na]+ 320.162098 177.1
[M-H]- 296.165604 176.4
[M+NH4]+ 315.206703 185.5
[M+K]+ 336.136038 173.2
[M+H-H2O]+ 280.170140 164.7
[M+HCOO]- 342.171081 189.4
[M+CH3COO]- 356.186731 206.2
[M+Na-2H]- 318.147546 174.9
[M]+ 297.17233142 170.1
[M]- 297.17342858 170.1
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.