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

369
Patents

364.20386 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.211136 188.0
[M+Na]+ 387.193078 193.7
[M-H]- 363.196584 193.3
[M+NH4]+ 382.237683 200.2
[M+K]+ 403.167018 189.2
[M+H-H2O]+ 347.201120 181.1
[M+HCOO]- 409.202061 203.6
[M+CH3COO]- 423.217711 217.1
[M+Na-2H]- 385.178526 188.1
[M]+ 364.20331142 189.8
[M]- 364.20440858 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

literature stripe

Patent stripe

patents stripe