CID 256422

2-(4-isopropoxyphenyl)-5,6,7,8-tetramethoxy-4h-chromen-4-one

Structural Information

Molecular Formula
C22H24O7
SMILES
CC(C)OC1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C(=C(C(=C3OC)OC)OC)OC
InChI
InChI=1S/C22H24O7/c1-12(2)28-14-9-7-13(8-10-14)16-11-15(23)17-18(24-3)20(25-4)22(27-6)21(26-5)19(17)29-16/h7-12H,1-6H3
InChIKey
RTUSIIWBOUVOLS-UHFFFAOYSA-N
Compound name
5,6,7,8-tetramethoxy-2-(4-propan-2-yloxyphenyl)chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

400.1522 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 401.15948 193.0
[M+Na]+ 423.14142 202.6
[M-H]- 399.14492 202.4
[M+NH4]+ 418.18602 204.2
[M+K]+ 439.11536 202.6
[M+H-H2O]+ 383.14946 183.5
[M+HCOO]- 445.15040 213.5
[M+CH3COO]- 459.16605 227.3
[M+Na-2H]- 421.12687 194.8
[M]+ 400.15165 205.5
[M]- 400.15275 205.5
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

No patent data available for this compound.