CID 3064908

4-(2-hydroxy-3-(1-naphthalenyloxy)propyl)-4-(2-propenyl)morpholinium bromide

Structural Information

Molecular Formula
C20H26NO3
SMILES
C=CC[N+]1(CCOCC1)CC(COC2=CC=CC3=CC=CC=C32)O
InChI
InChI=1S/C20H26NO3/c1-2-10-21(11-13-23-14-12-21)15-18(22)16-24-20-9-5-7-17-6-3-4-8-19(17)20/h2-9,18,22H,1,10-16H2/q+1
InChIKey
ZZNWPGORMLZVBP-UHFFFAOYSA-N
Compound name
1-naphthalen-1-yloxy-3-(4-prop-2-enylmorpholin-4-ium-4-yl)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

328.19125 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.19853 178.8
[M+Na]+ 351.18047 193.3
[M+NH4]+ 346.22507 189.0
[M+K]+ 367.15441 184.1
[M-H]- 327.18397 185.3
[M+Na-2H]- 349.16592 186.8
[M]+ 328.19070 183.3
[M]- 328.19180 183.3
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.