CID 3044204

Q(sub 8)

Structural Information

Molecular Formula
C18H25N2O2
SMILES
CC1=C2C(=CC=C1)C(=CC(=N2)C)OCC[N+]3(CCOCC3)C
InChI
InChI=1S/C18H25N2O2/c1-14-5-4-6-16-17(13-15(2)19-18(14)16)22-12-9-20(3)7-10-21-11-8-20/h4-6,13H,7-12H2,1-3H3/q+1
InChIKey
AAFNXMIKXSPWKD-UHFFFAOYSA-N
Compound name
4-[2-(2,8-dimethylquinolin-4-yl)oxyethyl]-4-methylmorpholin-4-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

301.1916 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.19888 173.4
[M+Na]+ 324.18082 180.0
[M-H]- 300.18432 178.4
[M+NH4]+ 319.22542 187.3
[M+K]+ 340.15476 171.4
[M+H-H2O]+ 284.18886 166.1
[M+HCOO]- 346.18980 188.1
[M+CH3COO]- 360.20545 198.4
[M+Na-2H]- 322.16627 181.1
[M]+ 301.19105 172.3
[M]- 301.19215 172.3
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.