CID 424435

Nsc165235

Structural Information

Molecular Formula
C18H19N2O2
SMILES
C1COC(O1)C2=C[N+](=CC=C2)CCC3=CNC4=CC=CC=C43
InChI
InChI=1S/C18H19N2O2/c1-2-6-17-16(5-1)14(12-19-17)7-9-20-8-3-4-15(13-20)18-21-10-11-22-18/h1-6,8,12-13,18-19H,7,9-11H2/q+1
InChIKey
OLVHMAFCCMSTIF-UHFFFAOYSA-N
Compound name
3-[2-[3-(1,3-dioxolan-2-yl)pyridin-1-ium-1-yl]ethyl]-1H-indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

295.14465 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.15193 168.9
[M+Na]+ 318.13387 176.4
[M-H]- 294.13737 177.3
[M+NH4]+ 313.17847 182.0
[M+K]+ 334.10781 167.6
[M+H-H2O]+ 278.14191 163.2
[M+HCOO]- 340.14285 187.2
[M+CH3COO]- 354.15850 180.0
[M+Na-2H]- 316.11932 174.6
[M]+ 295.14410 168.5
[M]- 295.14520 168.5
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.