CID 176472470

2-[3-[(3-tert-butyl-2-hydroxy-5-methylphenyl)methyl]-2-hydroxy-5-methylphenyl]-2-methylpropanoic acid

Structural Information

Molecular Formula
C23H30O4
SMILES
CC1=CC(=C(C(=C1)C(C)(C)C)O)CC2=C(C(=CC(=C2)C)C(C)(C)C(=O)O)O
InChI
InChI=1S/C23H30O4/c1-13-8-15(19(24)17(10-13)22(3,4)5)12-16-9-14(2)11-18(20(16)25)23(6,7)21(26)27/h8-11,24-25H,12H2,1-7H3,(H,26,27)
InChIKey
CBYKLRYMUPUFDW-UHFFFAOYSA-N
Compound name
2-[3-[(3-tert-butyl-2-hydroxy-5-methylphenyl)methyl]-2-hydroxy-5-methylphenyl]-2-methylpropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

370.21442 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.221696 189.1
[M+Na]+ 393.203638 196.3
[M-H]- 369.207144 192.7
[M+NH4]+ 388.248243 200.5
[M+K]+ 409.177578 192.3
[M+H-H2O]+ 353.211680 183.1
[M+HCOO]- 415.212621 202.6
[M+CH3COO]- 429.228271 217.8
[M+Na-2H]- 391.189086 188.2
[M]+ 370.21387142 191.7
[M]- 370.21496858 191.7
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.