CID 11302670

Xanthoangelol d

Structural Information

Molecular Formula
C21H22O5
SMILES
CC(=C)C(CC1=C(C=CC(=C1O)C(=O)/C=C/C2=CC=C(C=C2)O)OC)O
InChI
InChI=1S/C21H22O5/c1-13(2)19(24)12-17-20(26-3)11-9-16(21(17)25)18(23)10-6-14-4-7-15(22)8-5-14/h4-11,19,22,24-25H,1,12H2,2-3H3/b10-6+
InChIKey
YSOKENZJQWPLRA-UXBLZVDNSA-N
Compound name
(E)-1-[2-hydroxy-3-(2-hydroxy-3-methylbut-3-enyl)-4-methoxyphenyl]-3-(4-hydroxyphenyl)prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

9
References

39
Patents

354.14673 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.154006 183.5
[M+Na]+ 377.135948 188.9
[M-H]- 353.139454 186.2
[M+NH4]+ 372.180553 194.2
[M+K]+ 393.109888 184.2
[M+H-H2O]+ 337.143990 176.1
[M+HCOO]- 399.144931 199.5
[M+CH3COO]- 413.160581 210.8
[M+Na-2H]- 375.121396 180.3
[M]+ 354.14618142 184.2
[M]- 354.14727858 184.2
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