CID 116043

63980-46-1

Structural Information

Molecular Formula
C36H42N2O8
SMILES
C=CCOC1=CC(=CC(=C1OCC=C)OCC=C)C(=O)N2CCN(CC2)C(=O)C3=CC(=C(C(=C3)OCC=C)OCC=C)OCC=C
InChI
InChI=1S/C36H42N2O8/c1-7-17-41-29-23-27(24-30(42-18-8-2)33(29)45-21-11-5)35(39)37-13-15-38(16-14-37)36(40)28-25-31(43-19-9-3)34(46-22-12-6)32(26-28)44-20-10-4/h7-12,23-26H,1-6,13-22H2
InChIKey
AZVOUNYRZMVGIH-UHFFFAOYSA-N
Compound name
[4-[3,4,5-tris(prop-2-enoxy)benzoyl]piperazin-1-yl]-[3,4,5-tris(prop-2-enoxy)phenyl]methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

630.2941 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 631.30138 253.4
[M+Na]+ 653.28332 262.4
[M+NH4]+ 648.32792 252.3
[M+K]+ 669.25726 255.6
[M-H]- 629.28682 253.3
[M+Na-2H]- 651.26877 253.8
[M]+ 630.29355 253.9
[M]- 630.29465 253.9
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.