CID 6447498

Brn 4486567

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]+ 279.12588 164.7
[M+Na]+ 301.10782 170.5
[M-H]- 277.11132 167.5
[M+NH4]+ 296.15242 178.6
[M+K]+ 317.08176 165.2
[M+H-H2O]+ 261.11586 156.3
[M+HCOO]- 323.11680 175.7
[M+CH3COO]- 337.13245 198.1
[M+Na-2H]- 299.09327 165.0
[M]+ 278.11805 162.3
[M]- 278.11915 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.