CID 131752402

5-amino-2,3-dihydro-6-(3-hydroxy-4-methoxy-1-oxobutyl)-2,2-dimethyl-4h-1-benzopyran-4-one

Structural Information

Molecular Formula
C16H21NO5
SMILES
CC1(CC(=O)C2=C(O1)C=CC(=C2N)C(=O)CC(COC)O)C
InChI
InChI=1S/C16H21NO5/c1-16(2)7-12(20)14-13(22-16)5-4-10(15(14)17)11(19)6-9(18)8-21-3/h4-5,9,18H,6-8,17H2,1-3H3
InChIKey
NOROKJIAOJKYOE-UHFFFAOYSA-N
Compound name
5-amino-6-(3-hydroxy-4-methoxybutanoyl)-2,2-dimethyl-3H-chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

307.14197 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.14925 170.2
[M+Na]+ 330.13119 179.7
[M+NH4]+ 325.17579 177.1
[M+K]+ 346.10513 174.3
[M-H]- 306.13469 171.8
[M+Na-2H]- 328.11664 172.7
[M]+ 307.14142 171.8
[M]- 307.14252 171.8
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.