CID 3073163

146935-07-1

Structural Information

Molecular Formula
C23H26O2
SMILES
CC(C)CCCC(C)C1=CC2=C(C=C1)C(=O)C(=CO2)C3=CC=CC=C3
InChI
InChI=1S/C23H26O2/c1-16(2)8-7-9-17(3)19-12-13-20-22(14-19)25-15-21(23(20)24)18-10-5-4-6-11-18/h4-6,10-17H,7-9H2,1-3H3
InChIKey
TWAUKAYSROIROR-UHFFFAOYSA-N
Compound name
7-(6-methylheptan-2-yl)-3-phenylchromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

334.19327 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.20055 183.3
[M+Na]+ 357.18249 189.8
[M-H]- 333.18599 191.1
[M+NH4]+ 352.22709 196.7
[M+K]+ 373.15643 185.9
[M+H-H2O]+ 317.19053 174.5
[M+HCOO]- 379.19147 201.9
[M+CH3COO]- 393.20712 215.1
[M+Na-2H]- 355.16794 185.6
[M]+ 334.19272 186.7
[M]- 334.19382 186.7
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

patents stripe