CID 18362422

135452-42-5

Structural Information

Molecular Formula
C26H32O4
SMILES
CC1(CC(C2=C1C=CC(=C2)C(=O)C(C)(C)O)(C)C3=CC=C(C=C3)C(=O)C(C)(C)O)C
InChI
InChI=1S/C26H32O4/c1-23(2)15-26(7,18-11-8-16(9-12-18)21(27)24(3,4)29)20-14-17(10-13-19(20)23)22(28)25(5,6)30/h8-14,29-30H,15H2,1-7H3
InChIKey
AVZGRVCEWBPUNN-UHFFFAOYSA-N
Compound name
2-hydroxy-1-[4-[6-(2-hydroxy-2-methylpropanoyl)-1,3,3-trimethyl-2H-inden-1-yl]phenyl]-2-methylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

166
Patents

408.23007 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 409.237346 198.4
[M+Na]+ 431.219288 205.1
[M-H]- 407.222794 203.6
[M+NH4]+ 426.263893 214.9
[M+K]+ 447.193228 201.2
[M+H-H2O]+ 391.227330 194.2
[M+HCOO]- 453.228271 210.7
[M+CH3COO]- 467.243921 223.9
[M+Na-2H]- 429.204736 199.8
[M]+ 408.22952142 200.9
[M]- 408.23061858 200.9
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

patents stripe