CID 10452362

7-methoxypraecansone b

Structural Information

Molecular Formula
C23H24O5
SMILES
CC1(C=CC2=C(C(=C(C=C2O1)OC)C(=O)/C=C(/C3=CC=CC=C3)\OC)OC)C
InChI
InChI=1S/C23H24O5/c1-23(2)12-11-16-19(28-23)14-20(26-4)21(22(16)27-5)17(24)13-18(25-3)15-9-7-6-8-10-15/h6-14H,1-5H3/b18-13-
InChIKey
KLIBVTLWIJEYNK-AQTBWJFISA-N
Compound name
(Z)-1-(5,7-dimethoxy-2,2-dimethylchromen-6-yl)-3-methoxy-3-phenylprop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
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

patents stripe