CID 210262

21199-47-3

Structural Information

Molecular Formula
C19H25N3
SMILES
C[N+](C)(C)CCC[N+]1=CC=C(C=C1)C2=CC3=CC=CC=C3N2
InChI
InChI=1S/C19H24N3/c1-22(2,3)14-6-11-21-12-9-16(10-13-21)19-15-17-7-4-5-8-18(17)20-19/h4-5,7-10,12-13,15H,6,11,14H2,1-3H3/q+1/p+1
InChIKey
QEIIPSDHTBCWSF-UHFFFAOYSA-O
Compound name
3-[4-(1H-indol-2-yl)pyridin-1-ium-1-yl]propyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

295.20483 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.21211 173.7
[M+Na]+ 318.19405 181.1
[M-H]- 294.19755 179.3
[M+NH4]+ 313.23865 188.5
[M+K]+ 334.16799 164.4
[M+H-H2O]+ 278.20209 170.1
[M+HCOO]- 340.20303 193.9
[M+CH3COO]- 354.21868 194.7
[M+Na-2H]- 316.17950 184.9
[M]+ 295.20428 173.1
[M]- 295.20538 173.1
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.