CID 2038507

137460-56-1

Structural Information

Molecular Formula
C19H18O4
SMILES
CCCCOC1=CC2=C(C=C1)C(=O)C(=CO2)OC3=CC=CC=C3
InChI
InChI=1S/C19H18O4/c1-2-3-11-21-15-9-10-16-17(12-15)22-13-18(19(16)20)23-14-7-5-4-6-8-14/h4-10,12-13H,2-3,11H2,1H3
InChIKey
WLKJGEUMYUUHII-UHFFFAOYSA-N
Compound name
7-butoxy-3-phenoxychromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

3
Patents

310.1205 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.12778 170.8
[M+Na]+ 333.10972 179.4
[M-H]- 309.11322 179.2
[M+NH4]+ 328.15432 185.1
[M+K]+ 349.08366 176.7
[M+H-H2O]+ 293.11776 161.9
[M+HCOO]- 355.11870 193.2
[M+CH3COO]- 369.13435 205.8
[M+Na-2H]- 331.09517 177.8
[M]+ 310.11995 176.9
[M]- 310.12105 176.9
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