CID 274554

1,10-bis-(1-hydroxy-2-naphthyl)-1,10-decanedione

Structural Information

Molecular Formula
C30H30O4
SMILES
C1=CC=C2C(=C1)C=CC(=C2O)C(=O)CCCCCCCCC(=O)C3=C(C4=CC=CC=C4C=C3)O
InChI
InChI=1S/C30H30O4/c31-27(25-19-17-21-11-7-9-13-23(21)29(25)33)15-5-3-1-2-4-6-16-28(32)26-20-18-22-12-8-10-14-24(22)30(26)34/h7-14,17-20,33-34H,1-6,15-16H2
InChIKey
MGUCPTJBPMXWSO-UHFFFAOYSA-N
Compound name
1,10-bis(1-hydroxynaphthalen-2-yl)decane-1,10-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

454.21442 Da
Monoisotopic Mass

8.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 455.22170 214.5
[M+Na]+ 477.20364 219.2
[M-H]- 453.20714 219.1
[M+NH4]+ 472.24824 223.0
[M+K]+ 493.17758 211.8
[M+H-H2O]+ 437.21168 204.0
[M+HCOO]- 499.21262 229.6
[M+CH3COO]- 513.22827 233.1
[M+Na-2H]- 475.18909 214.8
[M]+ 454.21387 218.1
[M]- 454.21497 218.1
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