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]+ 275.094556 161.7
[M+Na]+ 297.076498 170.4
[M-H]- 273.080004 165.1
[M+NH4]+ 292.121103 178.1
[M+K]+ 313.050438 163.5
[M+H-H2O]+ 257.084540 153.7
[M+HCOO]- 319.085481 175.5
[M+CH3COO]- 333.101131 172.7
[M+Na-2H]- 295.061946 164.8
[M]+ 274.08673142 161.3
[M]- 274.08782858 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.