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]+ 435.22783 208.6
[M+Na]+ 457.20977 210.9
[M-H]- 433.21327 213.5
[M+NH4]+ 452.25437 214.2
[M+K]+ 473.18371 205.1
[M+H-H2O]+ 417.21781 196.3
[M+HCOO]- 479.21875 222.5
[M+CH3COO]- 493.23440 228.4
[M+Na-2H]- 455.19522 205.5
[M]+ 434.22000 208.1
[M]- 434.22110 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.