CID 392296

Nsc692429

Structural Information

Molecular Formula
C17H16N2O2
SMILES
C1COC(O1)(CC2=CC=CC=N2)C3=CC4=CC=CC=C4N3
InChI
InChI=1S/C17H16N2O2/c1-2-7-15-13(5-1)11-16(19-15)17(20-9-10-21-17)12-14-6-3-4-8-18-14/h1-8,11,19H,9-10,12H2
InChIKey
IENHJUPAHKRBGX-UHFFFAOYSA-N
Compound name
2-[2-(pyridin-2-ylmethyl)-1,3-dioxolan-2-yl]-1H-indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

280.1212 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.128476 160.8
[M+Na]+ 303.110418 169.5
[M-H]- 279.113924 169.2
[M+NH4]+ 298.155023 176.6
[M+K]+ 319.084358 166.4
[M+H-H2O]+ 263.118460 152.7
[M+HCOO]- 325.119401 180.0
[M+CH3COO]- 339.135051 172.9
[M+Na-2H]- 301.095866 166.3
[M]+ 280.12065142 161.3
[M]- 280.12174858 161.3
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.