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]+ 381.169656 191.1
[M+Na]+ 403.151598 198.3
[M-H]- 379.155104 199.3
[M+NH4]+ 398.196203 204.5
[M+K]+ 419.125538 196.7
[M+H-H2O]+ 363.159640 182.4
[M+HCOO]- 425.160581 209.0
[M+CH3COO]- 439.176231 221.2
[M+Na-2H]- 401.137046 193.4
[M]+ 380.16183142 197.4
[M]- 380.16292858 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.