CID 205707

Brn 0920759

Structural Information

Molecular Formula
C20H27NO
SMILES
CC(C)C(CCN1CCOCC1)C2=CC=CC3=CC=CC=C32
InChI
InChI=1S/C20H27NO/c1-16(2)18(10-11-21-12-14-22-15-13-21)20-9-5-7-17-6-3-4-8-19(17)20/h3-9,16,18H,10-15H2,1-2H3
InChIKey
XUHNOFDLUSNFOZ-UHFFFAOYSA-N
Compound name
4-(4-methyl-3-naphthalen-1-ylpentyl)morpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

297.20926 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.216536 174.6
[M+Na]+ 320.198478 177.2
[M-H]- 296.201984 179.3
[M+NH4]+ 315.243083 187.3
[M+K]+ 336.172418 174.0
[M+H-H2O]+ 280.206520 165.0
[M+HCOO]- 342.207461 188.2
[M+CH3COO]- 356.223111 183.4
[M+Na-2H]- 318.183926 176.9
[M]+ 297.20871142 171.5
[M]- 297.20980858 171.5
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.