CID 3044460

Te 156

Structural Information

Molecular Formula
C19H25NO2
SMILES
CC(CC1=CC=CC=C1)NCCC(COC2=CC=CC=C2)O
InChI
InChI=1S/C19H25NO2/c1-16(14-17-8-4-2-5-9-17)20-13-12-18(21)15-22-19-10-6-3-7-11-19/h2-11,16,18,20-21H,12-15H2,1H3
InChIKey
ARHCKRDCLIPREX-UHFFFAOYSA-N
Compound name
1-phenoxy-4-(1-phenylpropan-2-ylamino)butan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

299.18854 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.19582 174.0
[M+Na]+ 322.17776 176.3
[M-H]- 298.18126 177.9
[M+NH4]+ 317.22236 187.3
[M+K]+ 338.15170 172.4
[M+H-H2O]+ 282.18580 165.3
[M+HCOO]- 344.18674 194.5
[M+CH3COO]- 358.20239 205.1
[M+Na-2H]- 320.16321 176.8
[M]+ 299.18799 173.7
[M]- 299.18909 173.7
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.