CID 34864

Ketone, 3-indolyl piperidinomethyl

Structural Information

Molecular Formula
C15H18N2O
SMILES
C1CCN(CC1)CC(=O)C2=CNC3=CC=CC=C32
InChI
InChI=1S/C15H18N2O/c18-15(11-17-8-4-1-5-9-17)13-10-16-14-7-3-2-6-12(13)14/h2-3,6-7,10,16H,1,4-5,8-9,11H2
InChIKey
CDRQAUBCVZVLOJ-UHFFFAOYSA-N
Compound name
1-(1H-indol-3-yl)-2-piperidin-1-ylethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

19
Patents

242.1419 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.14918 155.8
[M+Na]+ 265.13112 161.7
[M-H]- 241.13462 158.7
[M+NH4]+ 260.17572 172.2
[M+K]+ 281.10506 156.6
[M+H-H2O]+ 225.13916 147.2
[M+HCOO]- 287.14010 172.8
[M+CH3COO]- 301.15575 166.4
[M+Na-2H]- 263.11657 159.2
[M]+ 242.14135 151.6
[M]- 242.14245 151.6
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