CID 5270967

Schembl7097929

Structural Information

Molecular Formula
C21H28O5
SMILES
CCCC1=CC(=O)OC2=C1C3=C(CCC(O3)(C)C)C(=C2C(CC)O)OC
InChI
InChI=1S/C21H28O5/c1-6-8-12-11-15(23)25-20-16(12)19-13(9-10-21(3,4)26-19)18(24-5)17(20)14(22)7-2/h11,14,22H,6-10H2,1-5H3
InChIKey
OSLKKQHNQKRWBS-UHFFFAOYSA-N
Compound name
6-(1-hydroxypropyl)-5-methoxy-2,2-dimethyl-10-propyl-3,4-dihydropyrano[2,3-f]chromen-8-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3
Patents

360.19366 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.20094 186.2
[M+Na]+ 383.18288 194.9
[M-H]- 359.18638 191.8
[M+NH4]+ 378.22748 200.5
[M+K]+ 399.15682 193.8
[M+H-H2O]+ 343.19092 179.1
[M+HCOO]- 405.19186 199.8
[M+CH3COO]- 419.20751 218.7
[M+Na-2H]- 381.16833 189.5
[M]+ 360.19311 192.9
[M]- 360.19421 192.9
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