CID 17897

Oxyimperatorin

Structural Information

Molecular Formula
C16H14O5
SMILES
CC1([C@@H](O1)COC2=C3C(=CC4=C2OC=C4)C=CC(=O)O3)C
InChI
InChI=1S/C16H14O5/c1-16(2)11(21-16)8-19-15-13-10(5-6-18-13)7-9-3-4-12(17)20-14(9)15/h3-7,11H,8H2,1-2H3/t11-/m0/s1
InChIKey
CTJZWFCPUDPLME-NSHDSACASA-N
Compound name
9-[[(2S)-3,3-dimethyloxiran-2-yl]methoxy]furo[3,2-g]chromen-7-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

11
References

34
Patents

286.08414 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.09142 160.3
[M+Na]+ 309.07336 174.9
[M-H]- 285.07686 173.0
[M+NH4]+ 304.11796 173.8
[M+K]+ 325.04730 175.1
[M+H-H2O]+ 269.08140 154.7
[M+HCOO]- 331.08234 181.5
[M+CH3COO]- 345.09799 175.1
[M+Na-2H]- 307.05881 169.7
[M]+ 286.08359 173.6
[M]- 286.08469 173.6
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