CID 10606

Cyclocoumarol

Structural Information

Molecular Formula
C20H18O4
SMILES
CC1(CC(C2=C(O1)C3=CC=CC=C3OC2=O)C4=CC=CC=C4)OC
InChI
InChI=1S/C20H18O4/c1-20(22-2)12-15(13-8-4-3-5-9-13)17-18(24-20)14-10-6-7-11-16(14)23-19(17)21/h3-11,15H,12H2,1-2H3
InChIKey
ZGFASEKBKWVCGP-UHFFFAOYSA-N
Compound name
2-methoxy-2-methyl-4-phenyl-3,4-dihydropyrano[3,2-c]chromen-5-one
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

8
References

1132
Patents

322.1205 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.127776 173.8
[M+Na]+ 345.109718 183.5
[M-H]- 321.113224 183.9
[M+NH4]+ 340.154323 189.3
[M+K]+ 361.083658 181.7
[M+H-H2O]+ 305.117760 164.6
[M+HCOO]- 367.118701 191.6
[M+CH3COO]- 381.134351 185.9
[M+Na-2H]- 343.095166 182.0
[M]+ 322.11995142 177.4
[M]- 322.12104858 177.4
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