CID 10043694

Cnidicin

Structural Information

Molecular Formula
C21H22O5
SMILES
CC(=CCOC1=C2C=COC2=C(C3=C1C=CC(=O)O3)OCC=C(C)C)C
InChI
InChI=1S/C21H22O5/c1-13(2)7-10-23-18-15-5-6-17(22)26-20(15)21(25-11-8-14(3)4)19-16(18)9-12-24-19/h5-9,12H,10-11H2,1-4H3
InChIKey
HJMDOAWWVCOEDW-UHFFFAOYSA-N
Compound name
4,9-bis(3-methylbut-2-enoxy)furo[3,2-g]chromen-7-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

9
References

14
Patents

354.14673 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.15401 182.0
[M+Na]+ 377.13595 195.6
[M+NH4]+ 372.18055 188.4
[M+K]+ 393.10989 191.1
[M-H]- 353.13945 185.9
[M+Na-2H]- 375.12140 184.3
[M]+ 354.14618 185.0
[M]- 354.14728 185.0
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