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]+ 375.19548 193.3
[M+Na]+ 397.17742 200.0
[M-H]- 373.18092 199.8
[M+NH4]+ 392.22202 206.4
[M+K]+ 413.15136 195.0
[M+H-H2O]+ 357.18546 185.1
[M+HCOO]- 419.18640 208.8
[M+CH3COO]- 433.20205 219.1
[M+Na-2H]- 395.16287 193.8
[M]+ 374.18765 194.8
[M]- 374.18875 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.