CID 26935

Indoline, 1-(2-(2-pyridyl)ethyl)-

Structural Information

Molecular Formula
C15H16N2
SMILES
C1CN(C2=CC=CC=C21)CCC3=CC=CC=N3
InChI
InChI=1S/C15H16N2/c1-2-7-15-13(5-1)8-11-17(15)12-9-14-6-3-4-10-16-14/h1-7,10H,8-9,11-12H2
InChIKey
JZHBBTBIFNAYGW-UHFFFAOYSA-N
Compound name
1-(2-pyridin-2-ylethyl)-2,3-dihydroindole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

378
Patents

224.13135 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.138626 151.1
[M+Na]+ 247.120568 158.6
[M-H]- 223.124074 155.5
[M+NH4]+ 242.165173 169.1
[M+K]+ 263.094508 153.7
[M+H-H2O]+ 207.128610 142.1
[M+HCOO]- 269.129551 171.7
[M+CH3COO]- 283.145201 163.1
[M+Na-2H]- 245.106016 157.1
[M]+ 224.13080142 150.0
[M]- 224.13189858 150.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe