CID 108029

5-methoxy-3-(1,2,3,6-tetrahydropyridin-4-yl)-1h-indole

Structural Information

Molecular Formula
C14H16N2O
SMILES
COC1=CC2=C(C=C1)NC=C2C3=CCNCC3
InChI
InChI=1S/C14H16N2O/c1-17-11-2-3-14-12(8-11)13(9-16-14)10-4-6-15-7-5-10/h2-4,8-9,15-16H,5-7H2,1H3
InChIKey
KRVMLPUDAOWOGN-UHFFFAOYSA-N
Compound name
5-methoxy-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

225
References

179
Patents

228.12627 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.13355 150.8
[M+Na]+ 251.11549 158.8
[M-H]- 227.11899 153.2
[M+NH4]+ 246.16009 167.6
[M+K]+ 267.08943 152.9
[M+H-H2O]+ 211.12353 142.9
[M+HCOO]- 273.12447 169.0
[M+CH3COO]- 287.14012 162.2
[M+Na-2H]- 249.10094 155.8
[M]+ 228.12572 147.6
[M]- 228.12682 147.6
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