CID 707194

3-(2-(2-pyridyl)ethyl)indole

Structural Information

Molecular Formula
C15H14N2
SMILES
C1=CC=C2C(=C1)C(=CN2)CCC3=CC=CC=N3
InChI
InChI=1S/C15H14N2/c1-2-7-15-14(6-1)12(11-17-15)8-9-13-5-3-4-10-16-13/h1-7,10-11,17H,8-9H2
InChIKey
QZDNFPFFBXHYNR-UHFFFAOYSA-N
Compound name
3-(2-pyridin-2-ylethyl)-1H-indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

19
Patents

222.11569 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.12297 148.9
[M+Na]+ 245.10491 158.1
[M-H]- 221.10841 152.8
[M+NH4]+ 240.14951 166.5
[M+K]+ 261.07885 151.8
[M+H-H2O]+ 205.11295 140.5
[M+HCOO]- 267.11389 170.9
[M+CH3COO]- 281.12954 161.4
[M+Na-2H]- 243.09036 156.6
[M]+ 222.11514 148.9
[M]- 222.11624 148.9
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