CID 6447330

73790-57-5

Structural Information

Molecular Formula
C16H20N2O5
SMILES
COC1=CC(=CC(=C1OC)OC)/C=C/C(=O)N2CCNC(=O)C2
InChI
InChI=1S/C16H20N2O5/c1-21-12-8-11(9-13(22-2)16(12)23-3)4-5-15(20)18-7-6-17-14(19)10-18/h4-5,8-9H,6-7,10H2,1-3H3,(H,17,19)/b5-4+
InChIKey
UEGPFBAXEXOTQV-SNAWJCMRSA-N
Compound name
4-[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]piperazin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

320.1372 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.14448 173.9
[M+Na]+ 343.12642 180.0
[M-H]- 319.12992 176.1
[M+NH4]+ 338.17102 184.7
[M+K]+ 359.10036 176.8
[M+H-H2O]+ 303.13446 164.9
[M+HCOO]- 365.13540 189.7
[M+CH3COO]- 379.15105 204.5
[M+Na-2H]- 341.11187 173.8
[M]+ 320.13665 174.5
[M]- 320.13775 174.5
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.