CID 47248

In 265

Structural Information

Molecular Formula
C17H24N2O
SMILES
C[N+]1(CCOCC1)CCC[N+]2=CC3=CC=CC=C3C=C2
InChI
InChI=1S/C17H24N2O/c1-19(11-13-20-14-12-19)10-4-8-18-9-7-16-5-2-3-6-17(16)15-18/h2-3,5-7,9,15H,4,8,10-14H2,1H3/q+2
InChIKey
UHWAPWOEOZQQKE-UHFFFAOYSA-N
Compound name
4-(3-isoquinolin-2-ium-2-ylpropyl)-4-methylmorpholin-4-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

272.18887 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.19615 167.9
[M+Na]+ 295.17809 172.7
[M-H]- 271.18159 172.4
[M+NH4]+ 290.22269 181.9
[M+K]+ 311.15203 158.6
[M+H-H2O]+ 255.18613 163.1
[M+HCOO]- 317.18707 182.2
[M+CH3COO]- 331.20272 185.9
[M+Na-2H]- 293.16354 179.1
[M]+ 272.18832 163.1
[M]- 272.18942 163.1
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.