CID 5467966

Nsc661191

Structural Information

Molecular Formula
C29H30N2O5
SMILES
COC1=C(C=C(C=C1)C(=O)/C=C/C2=CC=C(C=C2)OCC(=O)N3CCN(CC3)C4=CC=CC=C4)OC
InChI
InChI=1S/C29H30N2O5/c1-34-27-15-11-23(20-28(27)35-2)26(32)14-10-22-8-12-25(13-9-22)36-21-29(33)31-18-16-30(17-19-31)24-6-4-3-5-7-24/h3-15,20H,16-19,21H2,1-2H3/b14-10+
InChIKey
LPURVCWYIMXXEO-GXDHUFHOSA-N
Compound name
(E)-1-(3,4-dimethoxyphenyl)-3-[4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethoxy]phenyl]prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

486.21548 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 487.22276 220.1
[M+Na]+ 509.20470 222.2
[M-H]- 485.20820 228.2
[M+NH4]+ 504.24930 222.7
[M+K]+ 525.17864 217.0
[M+H-H2O]+ 469.21274 206.0
[M+HCOO]- 531.21368 233.8
[M+CH3COO]- 545.22933 238.1
[M+Na-2H]- 507.19015 217.2
[M]+ 486.21493 220.0
[M]- 486.21603 220.0
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.