CID 6184667

Ch55

Structural Information

Molecular Formula
C24H28O3
SMILES
CC(C)(C)C1=CC(=CC(=C1)C(=O)/C=C/C2=CC=C(C=C2)C(=O)O)C(C)(C)C
InChI
InChI=1S/C24H28O3/c1-23(2,3)19-13-18(14-20(15-19)24(4,5)6)21(25)12-9-16-7-10-17(11-8-16)22(26)27/h7-15H,1-6H3,(H,26,27)/b12-9+
InChIKey
FOUVTBKPJRMLPE-FMIVXFBMSA-N
Compound name
4-[(E)-3-(3,5-ditert-butylphenyl)-3-oxoprop-1-enyl]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

23
References

349
Patents

364.20386 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.21114 188.0
[M+Na]+ 387.19308 193.7
[M-H]- 363.19658 193.3
[M+NH4]+ 382.23768 200.2
[M+K]+ 403.16702 189.2
[M+H-H2O]+ 347.20112 181.1
[M+HCOO]- 409.20206 203.6
[M+CH3COO]- 423.21771 217.1
[M+Na-2H]- 385.17853 188.1
[M]+ 364.20331 189.8
[M]- 364.20441 189.8
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.