CID 53262726

Pisonivanone

Structural Information

Molecular Formula
C16H14O5
SMILES
CC1=C2C(=C(C=C1O)O)C(=O)C[C@H](O2)C3=CC=CC=C3O
InChI
InChI=1S/C16H14O5/c1-8-11(18)6-12(19)15-13(20)7-14(21-16(8)15)9-4-2-3-5-10(9)17/h2-6,14,17-19H,7H2,1H3/t14-/m0/s1
InChIKey
SEHDRAXGPBPQKE-AWEZNQCLSA-N
Compound name
(2S)-5,7-dihydroxy-2-(2-hydroxyphenyl)-8-methyl-2,3-dihydrochromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

9
Patents

286.08414 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.09142 162.4
[M+Na]+ 309.07336 171.6
[M-H]- 285.07686 167.8
[M+NH4]+ 304.11796 176.3
[M+K]+ 325.04730 168.3
[M+H-H2O]+ 269.08140 155.6
[M+HCOO]- 331.08234 178.6
[M+CH3COO]- 345.09799 196.8
[M+Na-2H]- 307.05881 166.0
[M]+ 286.08359 162.3
[M]- 286.08469 162.3
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