CID 6441979

N-methyl-trans-2,5-dimethyl-n'-cinnamoylpiperazine

Structural Information

Molecular Formula
C16H22N2O
SMILES
C[C@H]1CN([C@@H](CN1C(=O)/C=C/C2=CC=CC=C2)C)C
InChI
InChI=1S/C16H22N2O/c1-13-12-18(14(2)11-17(13)3)16(19)10-9-15-7-5-4-6-8-15/h4-10,13-14H,11-12H2,1-3H3/b10-9+/t13-,14+/m1/s1
InChIKey
MIGGJPIAMPJCES-HOQBHHMFSA-N
Compound name
(E)-3-phenyl-1-[(2S,5R)-2,4,5-trimethylpiperazin-1-yl]prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

258.17322 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.18050 163.5
[M+Na]+ 281.16244 169.5
[M-H]- 257.16594 166.8
[M+NH4]+ 276.20704 177.8
[M+K]+ 297.13638 165.2
[M+H-H2O]+ 241.17048 154.7
[M+HCOO]- 303.17142 179.9
[M+CH3COO]- 317.18707 197.7
[M+Na-2H]- 279.14789 164.2
[M]+ 258.17267 160.5
[M]- 258.17377 160.5
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.