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]+ 281.20122 169.3
[M+Na]+ 303.18316 177.2
[M-H]- 279.18666 175.0
[M+NH4]+ 298.22776 186.1
[M+K]+ 319.15710 161.3
[M+H-H2O]+ 263.19120 166.2
[M+HCOO]- 325.19214 189.8
[M+CH3COO]- 339.20779 196.8
[M+Na-2H]- 301.16861 183.5
[M]+ 280.19339 170.5
[M]- 280.19449 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.