CID 46710

In 293

Structural Information

Molecular Formula
C17H26N2O2
SMILES
C[N+](C)(C)CCC[N+]1=CC2=CC(=C(C=C2C=C1)OC)OC
InChI
InChI=1S/C17H26N2O2/c1-19(2,3)10-6-8-18-9-7-14-11-16(20-4)17(21-5)12-15(14)13-18/h7,9,11-13H,6,8,10H2,1-5H3/q+2
InChIKey
GEWWNKYITMTCQE-UHFFFAOYSA-N
Compound name
3-(6,7-dimethoxyisoquinolin-2-ium-2-yl)propyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

290.19943 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.20671 166.5
[M+Na]+ 313.18865 183.9
[M+NH4]+ 308.23325 176.9
[M+K]+ 329.16259 177.4
[M-H]- 289.19215 173.0
[M+Na-2H]- 311.17410 175.1
[M]+ 290.19888 171.8
[M]- 290.19998 171.8
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.