CID 98212

41510-06-9

Structural Information

Molecular Formula
C17H21NO3
SMILES
C1COCCN1CC(COC2=CC=CC3=CC=CC=C32)O
InChI
InChI=1S/C17H21NO3/c19-15(12-18-8-10-20-11-9-18)13-21-17-7-3-5-14-4-1-2-6-16(14)17/h1-7,15,19H,8-13H2
InChIKey
CGTJUMFMARLZOY-UHFFFAOYSA-N
Compound name
1-morpholin-4-yl-3-naphthalen-1-yloxypropan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

15
Patents

287.15213 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.15941 166.6
[M+Na]+ 310.14135 170.2
[M-H]- 286.14485 170.5
[M+NH4]+ 305.18595 178.9
[M+K]+ 326.11529 167.6
[M+H-H2O]+ 270.14939 157.4
[M+HCOO]- 332.15033 181.2
[M+CH3COO]- 346.16598 175.9
[M+Na-2H]- 308.12680 171.6
[M]+ 287.15158 164.3
[M]- 287.15268 164.3
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