CID 198045

264 cp

Structural Information

Molecular Formula
C17H23ClN2O2
SMILES
C=CCOC1=C(C=CC(=C1)Cl)C(=O)NCCN2CCCCC2
InChI
InChI=1S/C17H23ClN2O2/c1-2-12-22-16-13-14(18)6-7-15(16)17(21)19-8-11-20-9-4-3-5-10-20/h2,6-7,13H,1,3-5,8-12H2,(H,19,21)
InChIKey
JUHWMDGJJNVWIZ-UHFFFAOYSA-N
Compound name
4-chloro-N-(2-piperidin-1-ylethyl)-2-prop-2-enoxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

695
Patents

322.1448 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.152076 176.9
[M+Na]+ 345.134018 181.1
[M-H]- 321.137524 180.6
[M+NH4]+ 340.178623 189.9
[M+K]+ 361.107958 175.5
[M+H-H2O]+ 305.142060 168.4
[M+HCOO]- 367.143001 190.8
[M+CH3COO]- 381.158651 208.2
[M+Na-2H]- 343.119466 177.7
[M]+ 322.14425142 176.2
[M]- 322.14534858 176.2
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