CID 3631050

31592-24-2

Structural Information

Molecular Formula
C24H28O2
SMILES
CC(C)(C)C1=CC2=C(C=C1)C(=O)C(=CC2(C3=CC=CC=C3)O)C(C)(C)C
InChI
InChI=1S/C24H28O2/c1-22(2,3)17-12-13-18-19(14-17)24(26,16-10-8-7-9-11-16)15-20(21(18)25)23(4,5)6/h7-15,26H,1-6H3
InChIKey
KSTFQNSFBVZBOP-UHFFFAOYSA-N
Compound name
2,6-ditert-butyl-4-hydroxy-4-phenylnaphthalen-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

348.20892 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.21620 186.8
[M+Na]+ 371.19814 194.7
[M-H]- 347.20164 193.3
[M+NH4]+ 366.24274 203.0
[M+K]+ 387.17208 189.7
[M+H-H2O]+ 331.20618 179.9
[M+HCOO]- 393.20712 201.9
[M+CH3COO]- 407.22277 214.5
[M+Na-2H]- 369.18359 191.5
[M]+ 348.20837 187.7
[M]- 348.20947 187.7
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.