CID 6440422

5-geranyloxy-8-methoxy-psoralen

Structural Information

Molecular Formula
C22H24O5
SMILES
CC(=CCC/C(=C/COC1=C2C=COC2=C(C3=C1C=CC(=O)O3)OC)/C)C
InChI
InChI=1S/C22H24O5/c1-14(2)6-5-7-15(3)10-12-25-19-16-8-9-18(23)27-21(16)22(24-4)20-17(19)11-13-26-20/h6,8-11,13H,5,7,12H2,1-4H3/b15-10+
InChIKey
OQHQALGVQDTJDN-XNTDXEJSSA-N
Compound name
4-[(2E)-3,7-dimethylocta-2,6-dienoxy]-9-methoxyfuro[3,2-g]chromen-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

368.16238 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.16966 189.8
[M+Na]+ 391.15160 198.9
[M-H]- 367.15510 196.9
[M+NH4]+ 386.19620 203.9
[M+K]+ 407.12554 196.7
[M+H-H2O]+ 351.15964 183.1
[M+HCOO]- 413.16058 209.2
[M+CH3COO]- 427.17623 218.6
[M+Na-2H]- 389.13705 191.8
[M]+ 368.16183 200.3
[M]- 368.16293 200.3
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

No patent data available for this compound.