CID 478340

Chembl417029

Structural Information

Molecular Formula
C23H24O4
SMILES
CC1(CC2(CC(C3=C2C=C(C(=C3)C=O)O)(C)C)C4=C1C=C(C(=C4)O)C=O)C
InChI
InChI=1S/C23H24O4/c1-21(2)11-23(17-7-19(26)13(9-24)5-15(17)21)12-22(3,4)16-6-14(10-25)20(27)8-18(16)23/h5-10,26-27H,11-12H2,1-4H3
InChIKey
ZLRCKGCSBDTDGQ-UHFFFAOYSA-N
Compound name
6,6'-dihydroxy-3,3,3',3'-tetramethyl-1,1'-spirobi[2H-indene]-5,5'-dicarbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

364.16745 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.17473 184.5
[M+Na]+ 387.15667 197.3
[M-H]- 363.16017 191.4
[M+NH4]+ 382.20127 208.9
[M+K]+ 403.13061 190.2
[M+H-H2O]+ 347.16471 180.7
[M+HCOO]- 409.16565 201.8
[M+CH3COO]- 423.18130 214.6
[M+Na-2H]- 385.14212 186.0
[M]+ 364.16690 188.7
[M]- 364.16800 188.7
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

No patent data available for this compound.