CID 5271550

3-bromo-5,7-dimethoxy-2-(4-methoxyphenyl)chroman-4-one

Structural Information

Molecular Formula
C18H17BrO5
SMILES
COC1=CC=C(C=C1)C2C(C(=O)C3=C(O2)C=C(C=C3OC)OC)Br
InChI
InChI=1S/C18H17BrO5/c1-21-11-6-4-10(5-7-11)18-16(19)17(20)15-13(23-3)8-12(22-2)9-14(15)24-18/h4-9,16,18H,1-3H3
InChIKey
HZJFEFRXQMSEKO-UHFFFAOYSA-N
Compound name
3-bromo-5,7-dimethoxy-2-(4-methoxyphenyl)-2,3-dihydrochromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

392.02594 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 393.03322 182.0
[M+Na]+ 415.01516 193.4
[M-H]- 391.01866 192.8
[M+NH4]+ 410.05976 197.3
[M+K]+ 430.98910 184.5
[M+H-H2O]+ 375.02320 179.9
[M+HCOO]- 437.02414 199.3
[M+CH3COO]- 451.03979 217.4
[M+Na-2H]- 413.00061 186.2
[M]+ 392.02539 205.7
[M]- 392.02649 205.7
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

No patent data available for this compound.