CID 104048

51989-01-6

Structural Information

Molecular Formula
C27H32O6
SMILES
CC(C)(C1=CC=C(C=C1)OCCCOC(=O)C=C)C2=CC=C(C=C2)OCCCOC(=O)C=C
InChI
InChI=1S/C27H32O6/c1-5-25(28)32-19-7-17-30-23-13-9-21(10-14-23)27(3,4)22-11-15-24(16-12-22)31-18-8-20-33-26(29)6-2/h5-6,9-16H,1-2,7-8,17-20H2,3-4H3
InChIKey
LKJTVGPNIFDNOA-UHFFFAOYSA-N
Compound name
3-[4-[2-[4-(3-prop-2-enoyloxypropoxy)phenyl]propan-2-yl]phenoxy]propyl prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

395
Patents

452.21988 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 453.22716 212.3
[M+Na]+ 475.20910 215.3
[M-H]- 451.21260 217.4
[M+NH4]+ 470.25370 220.4
[M+K]+ 491.18304 211.7
[M+H-H2O]+ 435.21714 202.6
[M+HCOO]- 497.21808 230.5
[M+CH3COO]- 511.23373 232.7
[M+Na-2H]- 473.19455 211.1
[M]+ 452.21933 220.5
[M]- 452.22043 220.5
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

patents stripe