CID 14973216

116480-60-5

Structural Information

Molecular Formula
C15H15N3
SMILES
CN1CCC(=CC1)C2=CNC3=C2C=C(C=C3)C#N
InChI
InChI=1S/C15H15N3/c1-18-6-4-12(5-7-18)14-10-17-15-3-2-11(9-16)8-13(14)15/h2-4,8,10,17H,5-7H2,1H3
InChIKey
HNOKHIURIJOQKM-UHFFFAOYSA-N
Compound name
3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole-5-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

51
Patents

237.1266 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.13388 156.4
[M+Na]+ 260.11582 167.5
[M-H]- 236.11932 158.5
[M+NH4]+ 255.16042 171.6
[M+K]+ 276.08976 159.1
[M+H-H2O]+ 220.12386 141.4
[M+HCOO]- 282.12480 171.9
[M+CH3COO]- 296.14045 166.4
[M+Na-2H]- 258.10127 159.8
[M]+ 237.12605 149.0
[M]- 237.12715 149.0
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.