CID 42608075

Flowerine

Structural Information

Molecular Formula
C22H24O5
SMILES
CC(=CCC1=C(C=C(C2=C1O[C@@H](CC2=O)C3=CC=C(C=C3)OC)O)OC)C
InChI
InChI=1S/C22H24O5/c1-13(2)5-10-16-20(26-4)12-18(24)21-17(23)11-19(27-22(16)21)14-6-8-15(25-3)9-7-14/h5-9,12,19,24H,10-11H2,1-4H3/t19-/m0/s1
InChIKey
QTEBTSUWUVNMHC-IBGZPJMESA-N
Compound name
(2S)-5-hydroxy-7-methoxy-2-(4-methoxyphenyl)-8-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

316
Patents

368.16238 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.16966 188.0
[M+Na]+ 391.15160 195.3
[M-H]- 367.15510 195.0
[M+NH4]+ 386.19620 199.8
[M+K]+ 407.12554 192.5
[M+H-H2O]+ 351.15964 179.6
[M+HCOO]- 413.16058 204.3
[M+CH3COO]- 427.17623 218.6
[M+Na-2H]- 389.13705 188.1
[M]+ 368.16183 192.0
[M]- 368.16293 192.0
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