CID 214961

Brn 2391664

Structural Information

Molecular Formula
C22H25NO2
SMILES
CC(CC1=CC=CC=C1)NCC(COC2=CC=CC3=CC=CC=C32)O
InChI
InChI=1S/C22H25NO2/c1-17(14-18-8-3-2-4-9-18)23-15-20(24)16-25-22-13-7-11-19-10-5-6-12-21(19)22/h2-13,17,20,23-24H,14-16H2,1H3
InChIKey
HRMFZWCUSXAVFY-UHFFFAOYSA-N
Compound name
1-naphthalen-1-yloxy-3-(1-phenylpropan-2-ylamino)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

335.18854 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.19582 181.7
[M+Na]+ 358.17776 184.8
[M-H]- 334.18126 186.5
[M+NH4]+ 353.22236 194.5
[M+K]+ 374.15170 179.8
[M+H-H2O]+ 318.18580 172.6
[M+HCOO]- 380.18674 200.8
[M+CH3COO]- 394.20239 212.9
[M+Na-2H]- 356.16321 185.5
[M]+ 335.18799 181.5
[M]- 335.18909 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.