CID 6366128

Trans-1-(3,4,5-trimethoxy)cinnamoyl 4-aminocarbonylmethylpiperazine

Structural Information

Molecular Formula
C18H25N3O5
SMILES
COC1=CC(=CC(=C1OC)OC)/C=C/C(=O)N2CCN(CC2)CC(=O)N
InChI
InChI=1S/C18H25N3O5/c1-24-14-10-13(11-15(25-2)18(14)26-3)4-5-17(23)21-8-6-20(7-9-21)12-16(19)22/h4-5,10-11H,6-9,12H2,1-3H3,(H2,19,22)/b5-4+
InChIKey
XYTAECWKEOUFOT-SNAWJCMRSA-N
Compound name
2-[4-[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]piperazin-1-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

363.1794 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.18668 186.4
[M+Na]+ 386.16862 190.8
[M-H]- 362.17212 189.1
[M+NH4]+ 381.21322 195.4
[M+K]+ 402.14256 188.4
[M+H-H2O]+ 346.17666 176.6
[M+HCOO]- 408.17760 202.4
[M+CH3COO]- 422.19325 218.4
[M+Na-2H]- 384.15407 184.2
[M]+ 363.17885 187.2
[M]- 363.17995 187.2
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

patents stripe