CID 6440498

145414-76-2

Structural Information

Molecular Formula
C21H24O6
SMILES
C/C(=C\COC1=C2C=CC(=O)OC2=CC3=C1C=CO3)/CCC(C(C)(C)O)O
InChI
InChI=1S/C21H24O6/c1-13(4-6-18(22)21(2,3)24)8-10-26-20-14-5-7-19(23)27-17(14)12-16-15(20)9-11-25-16/h5,7-9,11-12,18,22,24H,4,6,10H2,1-3H3/b13-8+
InChIKey
IXZUPBUEKFXTSD-MDWZMJQESA-N
Compound name
4-[(E)-6,7-dihydroxy-3,7-dimethyloct-2-enoxy]furo[3,2-g]chromen-7-one
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

38
References

14
Patents

372.1573 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.164576 188.6
[M+Na]+ 395.146518 196.0
[M-H]- 371.150024 193.1
[M+NH4]+ 390.191123 200.8
[M+K]+ 411.120458 194.5
[M+H-H2O]+ 355.154560 182.9
[M+HCOO]- 417.155501 203.8
[M+CH3COO]- 431.171151 213.9
[M+Na-2H]- 393.131966 192.6
[M]+ 372.15675142 196.6
[M]- 372.15784858 196.6
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