CID 10472189

4-methoxylonchocarpin

Structural Information

Molecular Formula
C21H20O4
SMILES
CC1(C=CC2=C(O1)C=CC(=C2O)C(=O)/C=C/C3=CC=C(C=C3)OC)C
InChI
InChI=1S/C21H20O4/c1-21(2)13-12-17-19(25-21)11-9-16(20(17)23)18(22)10-6-14-4-7-15(24-3)8-5-14/h4-13,23H,1-3H3/b10-6+
InChIKey
XEVCTBKORYCFCZ-UXBLZVDNSA-N
Compound name
(E)-1-(5-hydroxy-2,2-dimethylchromen-6-yl)-3-(4-methoxyphenyl)prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

11
Patents

336.13617 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.143446 179.6
[M+Na]+ 359.125388 187.9
[M-H]- 335.128894 186.8
[M+NH4]+ 354.169993 194.4
[M+K]+ 375.099328 184.5
[M+H-H2O]+ 319.133430 171.7
[M+HCOO]- 381.134371 197.6
[M+CH3COO]- 395.150021 209.9
[M+Na-2H]- 357.110836 183.5
[M]+ 336.13562142 182.7
[M]- 336.13671858 182.7
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