CID 44829

5-chloro-1h-indol-3-yl 4-piperidinylmethyl ketone hydrochloride

Structural Information

Molecular Formula
C15H17ClN2O
SMILES
C1CNCCC1CC(=O)C2=CNC3=C2C=C(C=C3)Cl
InChI
InChI=1S/C15H17ClN2O/c16-11-1-2-14-12(8-11)13(9-18-14)15(19)7-10-3-5-17-6-4-10/h1-2,8-10,17-18H,3-7H2
InChIKey
OKSJDJSOIBOPFP-UHFFFAOYSA-N
Compound name
1-(5-chloro-1H-indol-3-yl)-2-piperidin-4-ylethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

276.10294 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.11022 162.9
[M+Na]+ 299.09216 170.1
[M-H]- 275.09566 164.5
[M+NH4]+ 294.13676 178.3
[M+K]+ 315.06610 162.5
[M+H-H2O]+ 259.10020 155.2
[M+HCOO]- 321.10114 173.7
[M+CH3COO]- 335.11679 172.7
[M+Na-2H]- 297.07761 164.6
[M]+ 276.10239 159.4
[M]- 276.10349 159.4
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