CID 10455912

Pharacine

Structural Information

Molecular Formula
C24H24O8
SMILES
C1CCOC(=O)C2=CC=C(C=C2)C(=O)OCCCCOC(=O)C3=CC=C(C=C3)C(=O)OC1
InChI
InChI=1S/C24H24O8/c25-21-17-5-7-19(8-6-17)23(27)31-15-3-4-16-32-24(28)20-11-9-18(10-12-20)22(26)30-14-2-1-13-29-21/h5-12H,1-4,13-16H2
InChIKey
SFNCDJVWOAZMFE-UHFFFAOYSA-N
Compound name
3,8,15,20-tetraoxatricyclo[20.2.2.210,13]octacosa-1(25),10,12,22(26),23,27-hexaene-2,9,14,21-tetrone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

45
Patents

440.14713 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 441.15441 198.2
[M+Na]+ 463.13635 187.5
[M-H]- 439.13985 176.5
[M+NH4]+ 458.18095 199.6
[M+K]+ 479.11029 194.9
[M+H-H2O]+ 423.14439 197.6
[M+HCOO]- 485.14533 183.8
[M+CH3COO]- 499.16098 192.7
[M+Na-2H]- 461.12180 202.2
[M]+ 440.14658 194.7
[M]- 440.14768 194.7
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

patents stripe