CID 131752501

Formylfusarochromanone

Structural Information

Molecular Formula
C16H20N2O5
SMILES
CC1(CC(=O)C2=C(O1)C=CC(=C2N)C(=O)CC(CO)NC=O)C
InChI
InChI=1S/C16H20N2O5/c1-16(2)6-12(22)14-13(23-16)4-3-10(15(14)17)11(21)5-9(7-19)18-8-20/h3-4,8-9,19H,5-7,17H2,1-2H3,(H,18,20)
InChIKey
ZSARLQOBZZVZSB-UHFFFAOYSA-N
Compound name
N-[4-(5-amino-2,2-dimethyl-4-oxo-3H-chromen-6-yl)-1-hydroxy-4-oxobutan-2-yl]formamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

320.1372 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.14448 172.8
[M+Na]+ 343.12642 178.9
[M-H]- 319.12992 175.9
[M+NH4]+ 338.17102 187.3
[M+K]+ 359.10036 177.5
[M+H-H2O]+ 303.13446 166.6
[M+HCOO]- 365.13540 190.3
[M+CH3COO]- 379.15105 212.7
[M+Na-2H]- 341.11187 175.2
[M]+ 320.13665 173.3
[M]- 320.13775 173.3
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

No patent data available for this compound.