CID 128448

Sf-2330

Structural Information

Molecular Formula
C22H14O7
SMILES
CC1=CC2=C(C3=C1C(=O)C=C(O3)C4(CO4)C5CO5)C(=O)C6=C(C2=O)C=CC=C6O
InChI
InChI=1S/C22H14O7/c1-9-5-11-18(20(26)17-10(19(11)25)3-2-4-12(17)23)21-16(9)13(24)6-14(29-21)22(8-28-22)15-7-27-15/h2-6,15,23H,7-8H2,1H3
InChIKey
FKRPAYLQUQJMJZ-UHFFFAOYSA-N
Compound name
11-hydroxy-5-methyl-2-[2-(oxiran-2-yl)oxiran-2-yl]naphtho[2,3-h]chromene-4,7,12-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

4
Patents

390.07394 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 391.08122 169.5
[M+Na]+ 413.06316 187.4
[M+NH4]+ 408.10776 178.9
[M+K]+ 429.03710 183.5
[M-H]- 389.06666 190.0
[M+Na-2H]- 411.04861 180.0
[M]+ 390.07339 180.4
[M]- 390.07449 180.4
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