CID 15382984

3,4-dimethoxylonchocarpin

Structural Information

Molecular Formula
C22H22O5
SMILES
CC1(C=CC2=C(O1)C=CC(=C2O)C(=O)/C=C/C3=CC(=C(C=C3)OC)OC)C
InChI
InChI=1S/C22H22O5/c1-22(2)12-11-16-18(27-22)10-7-15(21(16)24)17(23)8-5-14-6-9-19(25-3)20(13-14)26-4/h5-13,24H,1-4H3/b8-5+
InChIKey
NPDBZFZFFJSOFA-VMPITWQZSA-N
Compound name
(E)-3-(3,4-dimethoxyphenyl)-1-(5-hydroxy-2,2-dimethylchromen-6-yl)prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

7
Patents

366.14673 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.15401 186.7
[M+Na]+ 389.13595 195.2
[M-H]- 365.13945 194.1
[M+NH4]+ 384.18055 200.4
[M+K]+ 405.10989 192.4
[M+H-H2O]+ 349.14399 178.5
[M+HCOO]- 411.14493 204.4
[M+CH3COO]- 425.16058 216.4
[M+Na-2H]- 387.12140 189.6
[M]+ 366.14618 192.0
[M]- 366.14728 192.0
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