CID 75528943

Compound np-020052

Structural Information

Molecular Formula
C20H18O7
SMILES
CC12CCCC(O1)C3=C(O2)C(=C4C(=C3O)C(=O)C5=C(C=CC=C5O4)O)OC
InChI
InChI=1S/C20H18O7/c1-20-8-4-7-11(26-20)13-16(23)14-15(22)12-9(21)5-3-6-10(12)25-17(14)19(24-2)18(13)27-20/h3,5-6,11,21,23H,4,7-8H2,1-2H3
InChIKey
WHXAHEFPHFIHPO-UHFFFAOYSA-N
Compound name
3,7-dihydroxy-14-methoxy-17-methyl-12,16,21-trioxapentacyclo[15.3.1.02,15.04,13.06,11]henicosa-2(15),3,6,8,10,13-hexaen-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

370.10526 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.112536 180.6
[M+Na]+ 393.094478 191.6
[M-H]- 369.097984 186.7
[M+NH4]+ 388.139083 194.4
[M+K]+ 409.068418 191.5
[M+H-H2O]+ 353.102520 171.6
[M+HCOO]- 415.103461 190.5
[M+CH3COO]- 429.119111 191.3
[M+Na-2H]- 391.079926 190.3
[M]+ 370.10471142 187.5
[M]- 370.10580858 187.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.