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]+ 296.212106 173.7
[M+Na]+ 318.194048 181.1
[M-H]- 294.197554 179.3
[M+NH4]+ 313.238653 188.5
[M+K]+ 334.167988 164.4
[M+H-H2O]+ 278.202090 170.1
[M+HCOO]- 340.203031 193.9
[M+CH3COO]- 354.218681 194.7
[M+Na-2H]- 316.179496 184.9
[M]+ 295.20428142 173.1
[M]- 295.20537858 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.