CID 26380

3-ethyl-2-(1-methylpiperidin-2-yl)-1h-indole

Structural Information

Molecular Formula
C16H22N2
SMILES
CCC1=C(NC2=CC=CC=C21)C3CCCCN3C
InChI
InChI=1S/C16H22N2/c1-3-12-13-8-4-5-9-14(13)17-16(12)15-10-6-7-11-18(15)2/h4-5,8-9,15,17H,3,6-7,10-11H2,1-2H3
InChIKey
PDRIHEYEBPKZLU-UHFFFAOYSA-N
Compound name
3-ethyl-2-(1-methylpiperidin-2-yl)-1H-indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

242.1783 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.185576 158.4
[M+Na]+ 265.167518 165.9
[M-H]- 241.171024 161.7
[M+NH4]+ 260.212123 175.7
[M+K]+ 281.141458 160.1
[M+H-H2O]+ 225.175560 150.1
[M+HCOO]- 287.176501 175.7
[M+CH3COO]- 301.192151 169.5
[M+Na-2H]- 263.152966 160.9
[M]+ 242.17775142 155.2
[M]- 242.17884858 155.2
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

patents stripe