CID 202153

3.381 r.p.

Structural Information

Molecular Formula
C27H32N2O2
SMILES
CC[N+]1=CC=CC2=C1C(=CC=C2)OCCCCCOC3=CC=CC4=C3[N+](=CC=C4)CC
InChI
InChI=1S/C27H32N2O2/c1-3-28-18-10-14-22-12-8-16-24(26(22)28)30-20-6-5-7-21-31-25-17-9-13-23-15-11-19-29(4-2)27(23)25/h8-19H,3-7,20-21H2,1-2H3/q+2
InChIKey
BCONDCDVXCWTGJ-UHFFFAOYSA-N
Compound name
1-ethyl-8-[5-(1-ethylquinolin-1-ium-8-yl)oxypentoxy]quinolin-1-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

416.24637 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 417.25365 216.2
[M+Na]+ 439.23559 222.5
[M-H]- 415.23909 221.3
[M+NH4]+ 434.28019 224.6
[M+K]+ 455.20953 204.3
[M+H-H2O]+ 399.24363 208.4
[M+HCOO]- 461.24457 232.6
[M+CH3COO]- 475.26022 217.2
[M+Na-2H]- 437.22104 224.6
[M]+ 416.24582 220.3
[M]- 416.24692 220.3
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.