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

50
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

literature stripe

Patent stripe

patents stripe