CID 5321664

Baohuosu

Structural Information

Molecular Formula
C22H22O7
SMILES
CC(=CCC1=C2C(=C(C=C1O)O)C(=O)C=C(O2)C3=CC(=C(C(=C3)OC)O)OC)C
InChI
InChI=1S/C22H22O7/c1-11(2)5-6-13-14(23)9-15(24)20-16(25)10-17(29-22(13)20)12-7-18(27-3)21(26)19(8-12)28-4/h5,7-10,23-24,26H,6H2,1-4H3
InChIKey
FGQYLXHJJYBZGT-UHFFFAOYSA-N
Compound name
5,7-dihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-8-(3-methylbut-2-enyl)chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

2
Patents

398.13657 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 399.14385 193.1
[M+Na]+ 421.12579 202.5
[M-H]- 397.12929 198.8
[M+NH4]+ 416.17039 202.6
[M+K]+ 437.09973 199.9
[M+H-H2O]+ 381.13383 184.8
[M+HCOO]- 443.13477 209.2
[M+CH3COO]- 457.15042 221.2
[M+Na-2H]- 419.11124 192.9
[M]+ 398.13602 200.0
[M]- 398.13712 200.0
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