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]+ 291.206706 171.0
[M+Na]+ 313.188648 178.4
[M-H]- 289.192154 175.9
[M+NH4]+ 308.233253 186.8
[M+K]+ 329.162588 165.0
[M+H-H2O]+ 273.196690 168.6
[M+HCOO]- 335.197631 191.5
[M+CH3COO]- 349.213281 198.2
[M+Na-2H]- 311.174096 182.3
[M]+ 290.19888142 174.5
[M]- 290.19997858 174.5
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.