CID 54714081

Schembl8945668

Structural Information

Molecular Formula
C19H18O4
SMILES
C1=CC=C(C(=C1)CCCCC2=C(C3=CC=CC=C3OC2=O)O)O
InChI
InChI=1S/C19H18O4/c20-16-11-5-2-8-13(16)7-1-3-10-15-18(21)14-9-4-6-12-17(14)23-19(15)22/h2,4-6,8-9,11-12,20-21H,1,3,7,10H2
InChIKey
STOGWDOUBDKGBN-UHFFFAOYSA-N
Compound name
4-hydroxy-3-[4-(2-hydroxyphenyl)butyl]chromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

310.1205 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.12778 171.2
[M+Na]+ 333.10972 179.9
[M-H]- 309.11322 177.3
[M+NH4]+ 328.15432 184.5
[M+K]+ 349.08366 175.5
[M+H-H2O]+ 293.11776 163.2
[M+HCOO]- 355.11870 190.6
[M+CH3COO]- 369.13435 202.3
[M+Na-2H]- 331.09517 176.7
[M]+ 310.11995 174.3
[M]- 310.12105 174.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe