CID 138394144

4-hydroxy-3-[(1r)-3-oxo-1-phenylbutyl]-3,4-dihydro-2h-1-benzopyran-2-one

Structural Information

Molecular Formula
C19H18O4
SMILES
CC(=O)C[C@H](C1C(C2=CC=CC=C2OC1=O)O)C3=CC=CC=C3
InChI
InChI=1S/C19H18O4/c1-12(20)11-15(13-7-3-2-4-8-13)17-18(21)14-9-5-6-10-16(14)23-19(17)22/h2-10,15,17-18,21H,11H2,1H3/t15-,17?,18?/m0/s1
InChIKey
YGBVHFMFHBRKQV-ZLPCBKJTSA-N
Compound name
4-hydroxy-3-[(1R)-3-oxo-1-phenylbutyl]-3,4-dihydrochromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

310.1205 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.127776 171.1
[M+Na]+ 333.109718 176.9
[M-H]- 309.113224 177.5
[M+NH4]+ 328.154323 184.3
[M+K]+ 349.083658 174.1
[M+H-H2O]+ 293.117760 163.2
[M+HCOO]- 355.118701 187.3
[M+CH3COO]- 369.134351 205.1
[M+Na-2H]- 331.095166 173.6
[M]+ 310.11995142 170.8
[M]- 310.12104858 170.8
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

No patent data available for this compound.