CID 392295

Nsc692428

Structural Information

Molecular Formula

C₁₆H₁₄N₂O₂

SMILES

C1C(OCO1)(C2=CN=CC=C2)C3=CC4=CC=CC=C4N3

InChI

InChI=1S/C16H14N2O2/c1-2-6-14-12(4-1)8-15(18-14)16(10-19-11-20-16)13-5-3-7-17-9-13/h1-9,18H,10-11H2

InChIKey

XPSQSVZZCLFANE-UHFFFAOYSA-N

Compound name

2-(4-pyridin-3-yl-1,3-dioxolan-4-yl)-1H-indole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 266.10553 Da
Monoisotopic Mass: 1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	267.112806	156.2
[M+Na]+	289.094748	165.4
[M-H]-	265.098254	164.9
[M+NH4]+	284.139353	172.7
[M+K]+	305.068688	162.5
[M+H-H2O]+	249.102790	148.3
[M+HCOO]-	311.103731	175.8
[M+CH3COO]-	325.119381	168.9
[M+Na-2H]-	287.080196	162.3
[M]+	266.10498142	156.5
[M]-	266.10607858	156.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.