CID 480775

Dehydroglyasperin c

Structural Information

Molecular Formula
C21H22O5
SMILES
CC(=CCC1=C(C2=C(C=C1O)OCC(=C2)C3=C(C=C(C=C3)O)O)OC)C
InChI
InChI=1S/C21H22O5/c1-12(2)4-6-16-19(24)10-20-17(21(16)25-3)8-13(11-26-20)15-7-5-14(22)9-18(15)23/h4-5,7-10,22-24H,6,11H2,1-3H3
InChIKey
UACNRZUVCUEUPY-UHFFFAOYSA-N
Compound name
4-[7-hydroxy-5-methoxy-6-(3-methylbut-2-enyl)-2H-chromen-3-yl]benzene-1,3-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

12
References

40
Patents

354.14673 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.154006 184.7
[M+Na]+ 377.135948 192.3
[M-H]- 353.139454 189.6
[M+NH4]+ 372.180553 195.8
[M+K]+ 393.109888 188.6
[M+H-H2O]+ 337.143990 177.0
[M+HCOO]- 399.144931 199.5
[M+CH3COO]- 413.160581 211.6
[M+Na-2H]- 375.121396 185.3
[M]+ 354.14618142 186.9
[M]- 354.14727858 186.9
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