CID 39869434

1087792-03-7

Structural Information

Molecular Formula
C15H15ClN2O
SMILES
C1CN(CC=C1C2=CNC3=CC=CC=C32)C(=O)CCl
InChI
InChI=1S/C15H15ClN2O/c16-9-15(19)18-7-5-11(6-8-18)13-10-17-14-4-2-1-3-12(13)14/h1-5,10,17H,6-9H2
InChIKey
POXVSAPYKCBJHI-UHFFFAOYSA-N
Compound name
2-chloro-1-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

274.08728 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.09456 161.7
[M+Na]+ 297.07650 170.4
[M-H]- 273.08000 165.1
[M+NH4]+ 292.12110 178.1
[M+K]+ 313.05044 163.5
[M+H-H2O]+ 257.08454 153.7
[M+HCOO]- 319.08548 175.5
[M+CH3COO]- 333.10113 172.7
[M+Na-2H]- 295.06195 164.8
[M]+ 274.08673 161.3
[M]- 274.08783 161.3
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.