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]+ 321.144476 173.9
[M+Na]+ 343.126418 180.0
[M-H]- 319.129924 176.1
[M+NH4]+ 338.171023 184.7
[M+K]+ 359.100358 176.8
[M+H-H2O]+ 303.134460 164.9
[M+HCOO]- 365.135401 189.7
[M+CH3COO]- 379.151051 204.5
[M+Na-2H]- 341.111866 173.8
[M]+ 320.13665142 174.5
[M]- 320.13774858 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.