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

1
Patents

322.1448 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.15208 176.9
[M+Na]+ 345.13402 181.1
[M-H]- 321.13752 180.6
[M+NH4]+ 340.17862 189.9
[M+K]+ 361.10796 175.5
[M+H-H2O]+ 305.14206 168.4
[M+HCOO]- 367.14300 190.8
[M+CH3COO]- 381.15865 208.2
[M+Na-2H]- 343.11947 177.7
[M]+ 322.14425 176.2
[M]- 322.14535 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