CID 34125

264ca

Structural Information

Molecular Formula
C17H24ClN3O2
SMILES
CN1CCN(CC1)CCNC(=O)C2=C(C=C(C=C2)Cl)OCC=C
InChI
InChI=1S/C17H24ClN3O2/c1-3-12-23-16-13-14(18)4-5-15(16)17(22)19-6-7-21-10-8-20(2)9-11-21/h3-5,13H,1,6-12H2,2H3,(H,19,22)
InChIKey
WQEFWRPGXPWCDS-UHFFFAOYSA-N
Compound name
4-chloro-N-[2-(4-methylpiperazin-1-yl)ethyl]-2-prop-2-enoxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

337.1557 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.162976 181.1
[M+Na]+ 360.144918 186.1
[M-H]- 336.148424 183.7
[M+NH4]+ 355.189523 192.4
[M+K]+ 376.118858 180.5
[M+H-H2O]+ 320.152960 171.8
[M+HCOO]- 382.153901 193.6
[M+CH3COO]- 396.169551 212.1
[M+Na-2H]- 358.130366 181.3
[M]+ 337.15515142 181.2
[M]- 337.15624858 181.2
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