CID 205773

18542-14-8

Structural Information

Molecular Formula
C20H21NO2
SMILES
C1=CC=C(C=C1)CNCC(COC2=CC=CC3=CC=CC=C32)O
InChI
InChI=1S/C20H21NO2/c22-18(14-21-13-16-7-2-1-3-8-16)15-23-20-12-6-10-17-9-4-5-11-19(17)20/h1-12,18,21-22H,13-15H2
InChIKey
KZYHAULBIOCDFM-UHFFFAOYSA-N
Compound name
1-(benzylamino)-3-naphthalen-1-yloxypropan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

307.15723 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.16451 172.0
[M+Na]+ 330.14645 176.4
[M-H]- 306.14995 177.2
[M+NH4]+ 325.19105 186.0
[M+K]+ 346.12039 171.2
[M+H-H2O]+ 290.15449 163.2
[M+HCOO]- 352.15543 192.9
[M+CH3COO]- 366.17108 206.1
[M+Na-2H]- 328.13190 178.1
[M]+ 307.15668 171.7
[M]- 307.15778 171.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe