CID 9999819

Praecanson a

Structural Information

Molecular Formula
C23H24O5
SMILES
CC1(C=CC2=C(C(=C(C=C2O1)OC)/C(=C/C(=O)C3=CC=CC=C3)/OC)OC)C
InChI
InChI=1S/C23H24O5/c1-23(2)12-11-16-18(28-23)14-20(26-4)21(22(16)27-5)19(25-3)13-17(24)15-9-7-6-8-10-15/h6-14H,1-5H3/b19-13-
InChIKey
CDFJITYOZNLONM-UYRXBGFRSA-N
Compound name
(Z)-3-(5,7-dimethoxy-2,2-dimethylchromen-6-yl)-3-methoxy-1-phenylprop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

380.16238 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.16966 191.1
[M+Na]+ 403.15160 198.3
[M-H]- 379.15510 199.3
[M+NH4]+ 398.19620 204.5
[M+K]+ 419.12554 196.7
[M+H-H2O]+ 363.15964 182.4
[M+HCOO]- 425.16058 209.0
[M+CH3COO]- 439.17623 221.2
[M+Na-2H]- 401.13705 193.4
[M]+ 380.16183 197.4
[M]- 380.16293 197.4
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

No patent data available for this compound.