CID 6445344

1-piperazineacetamide, n-propyl-4-(3',4',5'-trimethoxycinnamoyl)-, maleate

Structural Information

Molecular Formula
C21H31N3O5
SMILES
CCCNC(=O)CN1CCN(CC1)C(=O)/C=C/C2=CC(=C(C(=C2)OC)OC)OC
InChI
InChI=1S/C21H31N3O5/c1-5-8-22-19(25)15-23-9-11-24(12-10-23)20(26)7-6-16-13-17(27-2)21(29-4)18(14-16)28-3/h6-7,13-14H,5,8-12,15H2,1-4H3,(H,22,25)/b7-6+
InChIKey
LXHWFTFCMZFZCK-VOTSOKGWSA-N
Compound name
N-propyl-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

0
Patents

405.22638 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 406.23366 199.2
[M+Na]+ 428.21560 202.3
[M-H]- 404.21910 201.8
[M+NH4]+ 423.26020 206.8
[M+K]+ 444.18954 199.5
[M+H-H2O]+ 388.22364 188.7
[M+HCOO]- 450.22458 214.8
[M+CH3COO]- 464.24023 227.1
[M+Na-2H]- 426.20105 196.5
[M]+ 405.22583 201.9
[M]- 405.22693 201.9
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.