CID 335551

2-(4-benzyloxyphenyl)chromone

Structural Information

Molecular Formula
C22H16O3
SMILES
C1=CC=C(C=C1)COC2=CC=C(C=C2)C3=CC(=O)C4=CC=CC=C4O3
InChI
InChI=1S/C22H16O3/c23-20-14-22(25-21-9-5-4-8-19(20)21)17-10-12-18(13-11-17)24-15-16-6-2-1-3-7-16/h1-14H,15H2
InChIKey
JZGKNOHKJDYNJW-UHFFFAOYSA-N
Compound name
2-(4-phenylmethoxyphenyl)chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3
Patents

328.10995 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.11723 176.8
[M+Na]+ 351.09917 185.5
[M-H]- 327.10267 188.2
[M+NH4]+ 346.14377 189.7
[M+K]+ 367.07311 181.0
[M+H-H2O]+ 311.10721 166.6
[M+HCOO]- 373.10815 199.0
[M+CH3COO]- 387.12380 188.6
[M+Na-2H]- 349.08462 184.1
[M]+ 328.10940 179.5
[M]- 328.11050 179.5
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

patents stripe