CID 116415

In 261

Structural Information

Molecular Formula
C21H26N2
SMILES
C[N+]1(CCCC1)CCC[N+]2=CC=CC3=C2C=CC4=CC=CC=C43
InChI
InChI=1S/C21H26N2/c1-23(15-4-5-16-23)17-7-14-22-13-6-10-20-19-9-3-2-8-18(19)11-12-21(20)22/h2-3,6,8-13H,4-5,7,14-17H2,1H3/q+2
InChIKey
NXCUNOAITDQIAK-UHFFFAOYSA-N
Compound name
4-[3-(1-methylpyrrolidin-1-ium-1-yl)propyl]benzo[f]quinolin-4-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

306.2096 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.21688 172.4
[M+Na]+ 329.19882 192.3
[M+NH4]+ 324.24342 186.2
[M+K]+ 345.17276 182.4
[M-H]- 305.20232 181.4
[M+Na-2H]- 327.18427 184.2
[M]+ 306.20905 179.0
[M]- 306.21015 179.0
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.