CID 3054441

Brn 2306319

Structural Information

Molecular Formula
C23H26O4
SMILES
CC(C)(C)C1=CC(=C(C(=C1)C(C)(C)C)O)C2(C(=O)C3=CC=CC=C3C2=O)O
InChI
InChI=1S/C23H26O4/c1-21(2,3)13-11-16(22(4,5)6)18(24)17(12-13)23(27)19(25)14-9-7-8-10-15(14)20(23)26/h7-12,24,27H,1-6H3
InChIKey
MHTCRMMHZDZUKH-UHFFFAOYSA-N
Compound name
2-(3,5-ditert-butyl-2-hydroxyphenyl)-2-hydroxyindene-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

366.1831 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.19038 187.6
[M+Na]+ 389.17232 197.0
[M-H]- 365.17582 193.8
[M+NH4]+ 384.21692 204.6
[M+K]+ 405.14626 192.3
[M+H-H2O]+ 349.18036 183.1
[M+HCOO]- 411.18130 202.8
[M+CH3COO]- 425.19695 215.1
[M+Na-2H]- 387.15777 189.7
[M]+ 366.18255 190.4
[M]- 366.18365 190.4
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.