CID 6447498

76691-24-2

Structural Information

Molecular Formula
C15H19ClN2O
SMILES
C/C(=C\C1=CC=C(C=C1)Cl)/C(=O)N2CCN(CC2)C
InChI
InChI=1S/C15H19ClN2O/c1-12(11-13-3-5-14(16)6-4-13)15(19)18-9-7-17(2)8-10-18/h3-6,11H,7-10H2,1-2H3/b12-11+
InChIKey
MIEJZVBYJHRJSU-VAWYXSNFSA-N
Compound name
(E)-3-(4-chlorophenyl)-2-methyl-1-(4-methylpiperazin-1-yl)prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

278.1186 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.125876 164.7
[M+Na]+ 301.107818 170.5
[M-H]- 277.111324 167.5
[M+NH4]+ 296.152423 178.6
[M+K]+ 317.081758 165.2
[M+H-H2O]+ 261.115860 156.3
[M+HCOO]- 323.116801 175.7
[M+CH3COO]- 337.132451 198.1
[M+Na-2H]- 299.093266 165.0
[M]+ 278.11805142 162.3
[M]- 278.11914858 162.3
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.