CID 2771689

2-(pyridin-4-yl)-1h-indole

Structural Information

Molecular Formula
C13H10N2
SMILES
C1=CC=C2C(=C1)C=C(N2)C3=CC=NC=C3
InChI
InChI=1S/C13H10N2/c1-2-4-12-11(3-1)9-13(15-12)10-5-7-14-8-6-10/h1-9,15H
InChIKey
VYNRDXHIIRNEKU-UHFFFAOYSA-N
Compound name
2-pyridin-4-yl-1H-indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

65
Patents

194.0844 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.09168 139.6
[M+Na]+ 217.07362 149.8
[M-H]- 193.07712 143.9
[M+NH4]+ 212.11822 158.5
[M+K]+ 233.04756 144.0
[M+H-H2O]+ 177.08166 131.7
[M+HCOO]- 239.08260 162.3
[M+CH3COO]- 253.09825 153.0
[M+Na-2H]- 215.05907 148.5
[M]+ 194.08385 139.0
[M]- 194.08495 139.0
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