CID 5323553

Ulexin c

Structural Information

Molecular Formula
C25H22O6
SMILES
CC1(C=CC2=C(O1)C=CC(=C2)C3=COC4=C(C3=O)C(=C5C=C(OC5=C4)C(C)(C)O)O)C
InChI
InChI=1S/C25H22O6/c1-24(2)8-7-14-9-13(5-6-17(14)31-24)16-12-29-19-11-18-15(22(26)21(19)23(16)27)10-20(30-18)25(3,4)28/h5-12,26,28H,1-4H3
InChIKey
ZCPMFYOKWFXSAI-UHFFFAOYSA-N
Compound name
6-(2,2-dimethylchromen-6-yl)-4-hydroxy-2-(2-hydroxypropan-2-yl)furo[3,2-g]chromen-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

11
Patents

418.14163 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 419.14891 200.4
[M+Na]+ 441.13085 212.5
[M-H]- 417.13435 211.1
[M+NH4]+ 436.17545 212.7
[M+K]+ 457.10479 211.2
[M+H-H2O]+ 401.13889 193.2
[M+HCOO]- 463.13983 214.0
[M+CH3COO]- 477.15548 211.5
[M+Na-2H]- 439.11630 206.8
[M]+ 418.14108 208.9
[M]- 418.14218 208.9
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