CID 54676408

155758-74-0

Structural Information

Molecular Formula
C18H16O4
SMILES
C1=CC=C(C=C1)OCCCC2=C(C3=CC=CC=C3OC2=O)O
InChI
InChI=1S/C18H16O4/c19-17-14-9-4-5-11-16(14)22-18(20)15(17)10-6-12-21-13-7-2-1-3-8-13/h1-5,7-9,11,19H,6,10,12H2
InChIKey
HGHYHEXRSFIVOQ-UHFFFAOYSA-N
Compound name
4-hydroxy-3-(3-phenoxypropyl)chromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

23
Patents

296.10486 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.11214 166.1
[M+Na]+ 319.09408 174.8
[M-H]- 295.09758 173.4
[M+NH4]+ 314.13868 180.4
[M+K]+ 335.06802 171.4
[M+H-H2O]+ 279.10212 157.8
[M+HCOO]- 341.10306 187.4
[M+CH3COO]- 355.11871 200.4
[M+Na-2H]- 317.07953 173.3
[M]+ 296.10431 170.2
[M]- 296.10541 170.2
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