CID 3020195

84878-42-2

Structural Information

Molecular Formula
C22H24N2O2
SMILES
C1=CC=C(C=C1)OCC(CNC2=CC=CC=C2CC3=CC=CC=C3N)O
InChI
InChI=1S/C22H24N2O2/c23-21-12-6-4-8-17(21)14-18-9-5-7-13-22(18)24-15-19(25)16-26-20-10-2-1-3-11-20/h1-13,19,24-25H,14-16,23H2
InChIKey
OGWYQTHMXLXCOH-UHFFFAOYSA-N
Compound name
1-[2-[(2-aminophenyl)methyl]anilino]-3-phenoxypropan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
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]+ 349.191056 183.7
[M+Na]+ 371.172998 187.1
[M-H]- 347.176504 190.7
[M+NH4]+ 366.217603 194.3
[M+K]+ 387.146938 181.4
[M+H-H2O]+ 331.181040 173.7
[M+HCOO]- 393.181981 205.8
[M+CH3COO]- 407.197631 216.2
[M+Na-2H]- 369.158446 186.9
[M]+ 348.18323142 181.5
[M]- 348.18432858 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.