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

0
Patents

337.1557 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.16298 181.1
[M+Na]+ 360.14492 186.1
[M-H]- 336.14842 183.7
[M+NH4]+ 355.18952 192.4
[M+K]+ 376.11886 180.5
[M+H-H2O]+ 320.15296 171.8
[M+HCOO]- 382.15390 193.6
[M+CH3COO]- 396.16955 212.1
[M+Na-2H]- 358.13037 181.3
[M]+ 337.15515 181.2
[M]- 337.15625 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

No patent data available for this compound.