CID 50925396

Schembl18644988

Structural Information

Molecular Formula
C23H28O5
SMILES
CC(C)(CCCOC1=CC(=CC(=C1)OC)/C=C/C2=CC=C(C=C2)OC)C(=O)O
InChI
InChI=1S/C23H28O5/c1-23(2,22(24)25)12-5-13-28-21-15-18(14-20(16-21)27-4)7-6-17-8-10-19(26-3)11-9-17/h6-11,14-16H,5,12-13H2,1-4H3,(H,24,25)/b7-6+
InChIKey
IXLDIBGJPRQITD-VOTSOKGWSA-N
Compound name
5-[3-methoxy-5-[(E)-2-(4-methoxyphenyl)ethenyl]phenoxy]-2,2-dimethylpentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3
Patents

384.19366 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.20094 194.1
[M+Na]+ 407.18288 199.3
[M-H]- 383.18638 198.9
[M+NH4]+ 402.22748 205.1
[M+K]+ 423.15682 195.7
[M+H-H2O]+ 367.19092 185.7
[M+HCOO]- 429.19186 212.7
[M+CH3COO]- 443.20751 219.1
[M+Na-2H]- 405.16833 194.8
[M]+ 384.19311 200.2
[M]- 384.19421 200.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe