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

2
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

literature stripe

Patent stripe

patents stripe