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]+ 406.233656 199.2
[M+Na]+ 428.215598 202.3
[M-H]- 404.219104 201.8
[M+NH4]+ 423.260203 206.8
[M+K]+ 444.189538 199.5
[M+H-H2O]+ 388.223640 188.7
[M+HCOO]- 450.224581 214.8
[M+CH3COO]- 464.240231 227.1
[M+Na-2H]- 426.201046 196.5
[M]+ 405.22583142 201.9
[M]- 405.22692858 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.