CID 45360315

Ns00097399

Structural Information

Molecular Formula
C19H22O4
SMILES
CC(=CCC1=C2C(=CC3=C1OC(C3)C(C)(C)O)C=CC(=O)O2)C
InChI
InChI=1S/C19H22O4/c1-11(2)5-7-14-17-12(6-8-16(20)23-17)9-13-10-15(19(3,4)21)22-18(13)14/h5-6,8-9,15,21H,7,10H2,1-4H3
InChIKey
AOUZZRQCLQLQIF-UHFFFAOYSA-N
Compound name
2-(2-hydroxypropan-2-yl)-9-(3-methylbut-2-enyl)-2,3-dihydrofuro[3,2-g]chromen-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

314.1518 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.159076 174.3
[M+Na]+ 337.141018 182.9
[M-H]- 313.144524 180.0
[M+NH4]+ 332.185623 190.1
[M+K]+ 353.114958 180.8
[M+H-H2O]+ 297.149060 169.4
[M+HCOO]- 359.150001 189.5
[M+CH3COO]- 373.165651 206.8
[M+Na-2H]- 335.126466 178.1
[M]+ 314.15125142 178.8
[M]- 314.15234858 178.8
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.