CID 109321

68391-25-3

Structural Information

Molecular Formula
C22H24N2O2
SMILES
C1=CC=C(C=C1)OCC(CNC2=CC=C(C=C2)CC3=CC=C(C=C3)N)O
InChI
InChI=1S/C22H24N2O2/c23-19-10-6-17(7-11-19)14-18-8-12-20(13-9-18)24-15-21(25)16-26-22-4-2-1-3-5-22/h1-13,21,24-25H,14-16,23H2
InChIKey
MLUQNLFGONTXMM-UHFFFAOYSA-N
Compound name
1-[4-[(4-aminophenyl)methyl]anilino]-3-phenoxypropan-2-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

348.18378 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.19106 187.8
[M+Na]+ 371.17300 201.1
[M+NH4]+ 366.21760 195.4
[M+K]+ 387.14694 192.4
[M-H]- 347.17650 195.2
[M+Na-2H]- 369.15845 197.9
[M]+ 348.18323 191.8
[M]- 348.18433 191.8
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.