CID 44147518

84864-53-9

Structural Information

Molecular Formula
C29H39NO6
SMILES
CCN(CC)CCC(=O)OCCOC1=CC=C(C=C1)C(C)(C)C2=CC=C(C=C2)OCCOC(=O)C=C
InChI
InChI=1S/C29H39NO6/c1-6-27(31)35-21-19-33-25-13-9-23(10-14-25)29(4,5)24-11-15-26(16-12-24)34-20-22-36-28(32)17-18-30(7-2)8-3/h6,9-16H,1,7-8,17-22H2,2-5H3
InChIKey
LXJDZBHLBVBEEY-UHFFFAOYSA-N
Compound name
2-[4-[2-[4-(2-prop-2-enoyloxyethoxy)phenyl]propan-2-yl]phenoxy]ethyl 3-(diethylamino)propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

497.27774 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 498.28502 226.0
[M+Na]+ 520.26696 227.0
[M-H]- 496.27046 231.9
[M+NH4]+ 515.31156 232.6
[M+K]+ 536.24090 225.2
[M+H-H2O]+ 480.27500 215.4
[M+HCOO]- 542.27594 244.8
[M+CH3COO]- 556.29159 247.5
[M+Na-2H]- 518.25241 223.6
[M]+ 497.27719 236.1
[M]- 497.27829 236.1
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.