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 171.0
[M+Na]+ 313.18865 178.4
[M-H]- 289.19215 175.9
[M+NH4]+ 308.23325 186.8
[M+K]+ 329.16259 165.0
[M+H-H2O]+ 273.19669 168.6
[M+HCOO]- 335.19763 191.5
[M+CH3COO]- 349.21328 198.2
[M+Na-2H]- 311.17410 182.3
[M]+ 290.19888 174.5
[M]- 290.19998 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.