CID 448011

Gc-24

Structural Information

Molecular Formula
C24H24O4
SMILES
CC1=CC(=CC(=C1CC2=CC(=C(C=C2)O)CC3=CC=CC=C3)C)OCC(=O)O
InChI
InChI=1S/C24H24O4/c1-16-10-21(28-15-24(26)27)11-17(2)22(16)14-19-8-9-23(25)20(13-19)12-18-6-4-3-5-7-18/h3-11,13,25H,12,14-15H2,1-2H3,(H,26,27)
InChIKey
JYHIGYLGYNCMGI-UHFFFAOYSA-N
Compound name
2-[4-[(3-benzyl-4-hydroxyphenyl)methyl]-3,5-dimethylphenoxy]acetic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

60
Patents

376.16745 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.17473 191.7
[M+Na]+ 399.15667 198.2
[M-H]- 375.16017 199.0
[M+NH4]+ 394.20127 202.1
[M+K]+ 415.13061 192.7
[M+H-H2O]+ 359.16471 182.2
[M+HCOO]- 421.16565 210.7
[M+CH3COO]- 435.18130 217.3
[M+Na-2H]- 397.14212 191.1
[M]+ 376.16690 194.0
[M]- 376.16800 194.0
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