CID 71448979

Vitamin k2 2,3-epoxide

Structural Information

Molecular Formula
C21H24O3
SMILES
CC(=CCC/C(=C/CC12C(=O)C3=CC=CC=C3C(=O)C1(O2)C)/C)C
InChI
InChI=1S/C21H24O3/c1-14(2)8-7-9-15(3)12-13-21-19(23)17-11-6-5-10-16(17)18(22)20(21,4)24-21/h5-6,8,10-12H,7,9,13H2,1-4H3/b15-12+
InChIKey
ZEACJJRPAPKYKW-NTCAYCPXSA-N
Compound name
1a-[(2E)-3,7-dimethylocta-2,6-dienyl]-7a-methylnaphtho[2,3-b]oxirene-2,7-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

13
Patents

324.17255 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.17983 178.8
[M+Na]+ 347.16177 188.2
[M-H]- 323.16527 185.0
[M+NH4]+ 342.20637 193.1
[M+K]+ 363.13571 185.0
[M+H-H2O]+ 307.16981 173.3
[M+HCOO]- 369.17075 193.5
[M+CH3COO]- 383.18640 213.6
[M+Na-2H]- 345.14722 182.3
[M]+ 324.17200 185.3
[M]- 324.17310 185.3
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.