CID 5271544

25826-69-1

Structural Information

Molecular Formula
C17H16O4
SMILES
COC1=CC=C(C=C1)C2CC(=O)C3=C(O2)C=C(C=C3)OC
InChI
InChI=1S/C17H16O4/c1-19-12-5-3-11(4-6-12)16-10-15(18)14-8-7-13(20-2)9-17(14)21-16/h3-9,16H,10H2,1-2H3
InChIKey
YAEYGSBLDUIDTP-UHFFFAOYSA-N
Compound name
7-methoxy-2-(4-methoxyphenyl)-2,3-dihydrochromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

31
Patents

284.10486 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.11214 162.7
[M+Na]+ 307.09408 171.1
[M-H]- 283.09758 171.2
[M+NH4]+ 302.13868 178.3
[M+K]+ 323.06802 169.3
[M+H-H2O]+ 267.10212 154.6
[M+HCOO]- 329.10306 183.0
[M+CH3COO]- 343.11871 201.7
[M+Na-2H]- 305.07953 168.3
[M]+ 284.10431 165.9
[M]- 284.10541 165.9
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

patents stripe