CID 50485

Indole, 5-acetyl-3-piperidinomethyl-

Structural Information

Molecular Formula
C16H20N2O
SMILES
CC(=O)C1=CC2=C(C=C1)NC=C2CN3CCCCC3
InChI
InChI=1S/C16H20N2O/c1-12(19)13-5-6-16-15(9-13)14(10-17-16)11-18-7-3-2-4-8-18/h5-6,9-10,17H,2-4,7-8,11H2,1H3
InChIKey
GPTNRJMZXRLDDP-UHFFFAOYSA-N
Compound name
1-[3-(piperidin-1-ylmethyl)-1H-indol-5-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

256.15756 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.164836 160.7
[M+Na]+ 279.146778 167.0
[M-H]- 255.150284 163.7
[M+NH4]+ 274.191383 176.7
[M+K]+ 295.120718 161.7
[M+H-H2O]+ 239.154820 152.1
[M+HCOO]- 301.155761 177.3
[M+CH3COO]- 315.171411 171.1
[M+Na-2H]- 277.132226 162.7
[M]+ 256.15701142 157.1
[M]- 256.15810858 157.1
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.