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 180.1
[M+Na]+ 329.19882 187.1
[M-H]- 305.20232 185.7
[M+NH4]+ 324.24342 197.0
[M+K]+ 345.17276 169.4
[M+H-H2O]+ 289.20686 174.8
[M+HCOO]- 351.20780 196.9
[M+CH3COO]- 365.22345 194.0
[M+Na-2H]- 327.18427 189.2
[M]+ 306.20905 177.3
[M]- 306.21015 177.3
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.