CID 15225568

3'-deaminofusarochromanone

Structural Information

Molecular Formula
C15H19NO4
SMILES
CC1(CC(=O)C2=C(O1)C=CC(=C2N)C(=O)CCCO)C
InChI
InChI=1S/C15H19NO4/c1-15(2)8-11(19)13-12(20-15)6-5-9(14(13)16)10(18)4-3-7-17/h5-6,17H,3-4,7-8,16H2,1-2H3
InChIKey
GUILTLWLDALBNW-UHFFFAOYSA-N
Compound name
5-amino-6-(4-hydroxybutanoyl)-2,2-dimethyl-3H-chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

277.1314 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.138676 162.8
[M+Na]+ 300.120618 170.5
[M-H]- 276.124124 166.3
[M+NH4]+ 295.165223 179.9
[M+K]+ 316.094558 168.5
[M+H-H2O]+ 260.128660 157.1
[M+HCOO]- 322.129601 180.3
[M+CH3COO]- 336.145251 201.6
[M+Na-2H]- 298.106066 166.3
[M]+ 277.13085142 163.6
[M]- 277.13194858 163.6
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

No patent data available for this compound.