CID 44259907

Gnaphaliin 7-epoxymethylbutyl ether

Structural Information

Molecular Formula
C22H22O7
SMILES
CC1(C(O1)COC2=C(C3=C(C(=C2)O)C(=O)C(=C(O3)C4=CC=CC=C4)OC)OC)C
InChI
InChI=1S/C22H22O7/c1-22(2)15(29-22)11-27-14-10-13(23)16-17(24)21(26-4)18(12-8-6-5-7-9-12)28-20(16)19(14)25-3/h5-10,15,23H,11H2,1-4H3
InChIKey
ZSBMVYLMXIISEC-UHFFFAOYSA-N
Compound name
7-[(3,3-dimethyloxiran-2-yl)methoxy]-5-hydroxy-3,8-dimethoxy-2-phenylchromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

398.13657 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 399.14385 191.3
[M+Na]+ 421.12579 203.5
[M-H]- 397.12929 203.8
[M+NH4]+ 416.17039 198.2
[M+K]+ 437.09973 203.2
[M+H-H2O]+ 381.13383 182.9
[M+HCOO]- 443.13477 210.0
[M+CH3COO]- 457.15042 224.2
[M+Na-2H]- 419.11124 196.0
[M]+ 398.13602 204.8
[M]- 398.13712 204.8
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.