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
3
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 183.7
[M+Na]+ 371.17300 187.1
[M-H]- 347.17650 190.7
[M+NH4]+ 366.21760 194.3
[M+K]+ 387.14694 181.4
[M+H-H2O]+ 331.18104 173.7
[M+HCOO]- 393.18198 205.8
[M+CH3COO]- 407.19763 216.2
[M+Na-2H]- 369.15845 186.9
[M]+ 348.18323 181.5
[M]- 348.18433 181.5
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

No patent data available for this compound.