CID 6448157

82885-75-4

Structural Information

Molecular Formula
C26H30N2O4
SMILES
CN1CCN(CC1)CCOC(=O)/C=C/C2=C(C=CC(=C2)C(=O)/C=C/C3=CC=CC=C3)OC
InChI
InChI=1S/C26H30N2O4/c1-27-14-16-28(17-15-27)18-19-32-26(30)13-10-23-20-22(9-12-25(23)31-2)24(29)11-8-21-6-4-3-5-7-21/h3-13,20H,14-19H2,1-2H3/b11-8+,13-10+
InChIKey
BUSWIMFDENDMBX-QLVLWNPDSA-N
Compound name
2-(4-methylpiperazin-1-yl)ethyl (E)-3-[2-methoxy-5-[(E)-3-phenylprop-2-enoyl]phenyl]prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

434.22055 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 435.227826 208.6
[M+Na]+ 457.209768 210.9
[M-H]- 433.213274 213.5
[M+NH4]+ 452.254373 214.2
[M+K]+ 473.183708 205.1
[M+H-H2O]+ 417.217810 196.3
[M+HCOO]- 479.218751 222.5
[M+CH3COO]- 493.234401 228.4
[M+Na-2H]- 455.195216 205.5
[M]+ 434.22000142 208.1
[M]- 434.22109858 208.1
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.