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]+ 281.12848 160.8
[M+Na]+ 303.11042 169.5
[M-H]- 279.11392 169.2
[M+NH4]+ 298.15502 176.6
[M+K]+ 319.08436 166.4
[M+H-H2O]+ 263.11846 152.7
[M+HCOO]- 325.11940 180.0
[M+CH3COO]- 339.13505 172.9
[M+Na-2H]- 301.09587 166.3
[M]+ 280.12065 161.3
[M]- 280.12175 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.