CID 9799518

Gw7604

Structural Information

Molecular Formula
C25H22O3
SMILES
CC/C(=C(/C1=CC=C(C=C1)/C=C/C(=O)O)\C2=CC=C(C=C2)O)/C3=CC=CC=C3
InChI
InChI=1S/C25H22O3/c1-2-23(19-6-4-3-5-7-19)25(21-13-15-22(26)16-14-21)20-11-8-18(9-12-20)10-17-24(27)28/h3-17,26H,2H2,1H3,(H,27,28)/b17-10+,25-23+
InChIKey
SCVIEONTACSLJA-YGCRUXFTSA-N
Compound name
(E)-3-[4-[(E)-1-(4-hydroxyphenyl)-2-phenylbut-1-enyl]phenyl]prop-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

15
References

23
Patents

370.1569 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.16418 191.2
[M+Na]+ 393.14612 194.9
[M-H]- 369.14962 197.4
[M+NH4]+ 388.19072 200.8
[M+K]+ 409.12006 188.1
[M+H-H2O]+ 353.15416 182.0
[M+HCOO]- 415.15510 208.2
[M+CH3COO]- 429.17075 213.5
[M+Na-2H]- 391.13157 189.9
[M]+ 370.15635 188.5
[M]- 370.15745 188.5
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