CID 496498

Nsc692004

Structural Information

Molecular Formula
C20H23IO5
SMILES
CCCC1=CC(=O)OC2=C3C(=CC(=C12)OC(C)CI)OC(C(C3=O)C)C
InChI
InChI=1S/C20H23IO5/c1-5-6-13-7-16(22)26-20-17(13)14(24-10(2)9-21)8-15-18(20)19(23)11(3)12(4)25-15/h7-8,10-12H,5-6,9H2,1-4H3
InChIKey
LVKMKMAADWLBSD-UHFFFAOYSA-N
Compound name
5-(1-iodopropan-2-yloxy)-8,9-dimethyl-4-propyl-8,9-dihydropyrano[2,3-h]chromene-2,10-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

470.05902 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 471.06630 191.7
[M+Na]+ 493.04824 193.7
[M-H]- 469.05174 191.2
[M+NH4]+ 488.09284 199.9
[M+K]+ 509.02218 198.4
[M+H-H2O]+ 453.05628 180.5
[M+HCOO]- 515.05722 202.3
[M+CH3COO]- 529.07287 228.1
[M+Na-2H]- 491.03369 182.1
[M]+ 470.05847 196.0
[M]- 470.05957 196.0
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.