CID 6442365

Su-740

Structural Information

Molecular Formula
C26H30O5
SMILES
CC(=CCOC1=CC(=C(C=C1)C(=O)/C=C/C2=CC=C(C=C2)C(C)(C)C)OCC(=O)O)C
InChI
InChI=1S/C26H30O5/c1-18(2)14-15-30-21-11-12-22(24(16-21)31-17-25(28)29)23(27)13-8-19-6-9-20(10-7-19)26(3,4)5/h6-14,16H,15,17H2,1-5H3,(H,28,29)/b13-8+
InChIKey
ANQKJBMYDIXLBL-MDWZMJQESA-N
Compound name
2-[2-[(E)-3-(4-tert-butylphenyl)prop-2-enoyl]-5-(3-methylbut-2-enoxy)phenoxy]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

422.20932 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 423.21660 203.6
[M+Na]+ 445.19854 207.6
[M-H]- 421.20204 208.1
[M+NH4]+ 440.24314 212.8
[M+K]+ 461.17248 203.4
[M+H-H2O]+ 405.20658 195.3
[M+HCOO]- 467.20752 219.6
[M+CH3COO]- 481.22317 226.9
[M+Na-2H]- 443.18399 200.6
[M]+ 422.20877 208.0
[M]- 422.20987 208.0
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.