CID 78650

In 267

Structural Information

Molecular Formula
C19H24N2
SMILES
C[N+](C)(C)CCC[N+]1=CC2=CC=CC=C2C3=CC=CC=C31
InChI
InChI=1S/C19H24N2/c1-21(2,3)14-8-13-20-15-16-9-4-5-10-17(16)18-11-6-7-12-19(18)20/h4-7,9-12,15H,8,13-14H2,1-3H3/q+2
InChIKey
NALZIQFZUKMQEP-UHFFFAOYSA-N
Compound name
trimethyl(3-phenanthridin-5-ium-5-ylpropyl)azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

280.19394 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.201216 169.3
[M+Na]+ 303.183158 177.2
[M-H]- 279.186664 175.0
[M+NH4]+ 298.227763 186.1
[M+K]+ 319.157098 161.3
[M+H-H2O]+ 263.191200 166.2
[M+HCOO]- 325.192141 189.8
[M+CH3COO]- 339.207791 196.8
[M+Na-2H]- 301.168606 183.5
[M]+ 280.19339142 170.5
[M]- 280.19448858 170.5
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.