CID 42607519

Spinochalcone c

Structural Information

Molecular Formula
C25H26O3
SMILES
CC(=CCC1=C2C(=CC(=C1O)C(=O)/C=C/C3=CC=CC=C3)C=CC(O2)(C)C)C
InChI
InChI=1S/C25H26O3/c1-17(2)10-12-20-23(27)21(16-19-14-15-25(3,4)28-24(19)20)22(26)13-11-18-8-6-5-7-9-18/h5-11,13-16,27H,12H2,1-4H3/b13-11+
InChIKey
UKLAAWWFUMSUTQ-ACCUITESSA-N
Compound name
(E)-1-[7-hydroxy-2,2-dimethyl-8-(3-methylbut-2-enyl)chromen-6-yl]-3-phenylprop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

374.1882 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.195476 193.3
[M+Na]+ 397.177418 200.0
[M-H]- 373.180924 199.8
[M+NH4]+ 392.222023 206.4
[M+K]+ 413.151358 195.0
[M+H-H2O]+ 357.185460 185.1
[M+HCOO]- 419.186401 208.8
[M+CH3COO]- 433.202051 219.1
[M+Na-2H]- 395.162866 193.8
[M]+ 374.18765142 194.9
[M]- 374.18874858 194.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.