CID 6448070

1-cinnamyl-4-(2,4,4-trimethylallophanoyl)piperazine hydrochloride

Structural Information

Molecular Formula
C18H26N4O2
SMILES
CN(C)C(=O)N(C)C(=O)N1CCN(CC1)C/C=C/C2=CC=CC=C2
InChI
InChI=1S/C18H26N4O2/c1-19(2)17(23)20(3)18(24)22-14-12-21(13-15-22)11-7-10-16-8-5-4-6-9-16/h4-10H,11-15H2,1-3H3/b10-7+
InChIKey
CJAFYUXLHXNGMF-JXMROGBWSA-N
Compound name
N-(dimethylcarbamoyl)-N-methyl-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

330.20557 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.21285 181.8
[M+Na]+ 353.19479 183.6
[M-H]- 329.19829 187.0
[M+NH4]+ 348.23939 193.0
[M+K]+ 369.16873 182.2
[M+H-H2O]+ 313.20283 171.2
[M+HCOO]- 375.20377 200.0
[M+CH3COO]- 389.21942 218.3
[M+Na-2H]- 351.18024 181.5
[M]+ 330.20502 179.7
[M]- 330.20612 179.7
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.