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]+ 278.13868 162.8
[M+Na]+ 300.12062 170.5
[M-H]- 276.12412 166.3
[M+NH4]+ 295.16522 179.9
[M+K]+ 316.09456 168.5
[M+H-H2O]+ 260.12866 157.1
[M+HCOO]- 322.12960 180.3
[M+CH3COO]- 336.14525 201.6
[M+Na-2H]- 298.10607 166.3
[M]+ 277.13085 163.6
[M]- 277.13195 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.