CID 26380

13994-11-1

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

0
Patents

242.1783 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.18558 158.4
[M+Na]+ 265.16752 165.9
[M-H]- 241.17102 161.7
[M+NH4]+ 260.21212 175.7
[M+K]+ 281.14146 160.1
[M+H-H2O]+ 225.17556 150.1
[M+HCOO]- 287.17650 175.7
[M+CH3COO]- 301.19215 169.5
[M+Na-2H]- 263.15297 160.9
[M]+ 242.17775 155.2
[M]- 242.17885 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