CID 502056

Schembl7246656

Structural Information

Molecular Formula
C22H26O5
SMILES
CCCC1=CC(=O)OC2=CC(=C3C=CC(OC3=C12)(C)C)OC(=O)C(C)(C)C
InChI
InChI=1S/C22H26O5/c1-7-8-13-11-17(23)25-16-12-15(26-20(24)21(2,3)4)14-9-10-22(5,6)27-19(14)18(13)16/h9-12H,7-8H2,1-6H3
InChIKey
QTXAKOUXNJEQGU-UHFFFAOYSA-N
Compound name
(2,2-dimethyl-8-oxo-10-propylpyrano[2,3-f]chromen-5-yl) 2,2-dimethylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

6
Patents

370.178 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.18528 187.8
[M+Na]+ 393.16722 197.4
[M-H]- 369.17072 195.0
[M+NH4]+ 388.21182 202.4
[M+K]+ 409.14116 197.0
[M+H-H2O]+ 353.17526 180.9
[M+HCOO]- 415.17620 202.8
[M+CH3COO]- 429.19185 220.8
[M+Na-2H]- 391.15267 193.8
[M]+ 370.17745 196.4
[M]- 370.17855 196.4
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