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]+ 321.144476 172.8
[M+Na]+ 343.126418 178.9
[M-H]- 319.129924 175.9
[M+NH4]+ 338.171023 187.3
[M+K]+ 359.100358 177.5
[M+H-H2O]+ 303.134460 166.6
[M+HCOO]- 365.135401 190.3
[M+CH3COO]- 379.151051 212.7
[M+Na-2H]- 341.111866 175.2
[M]+ 320.13665142 173.3
[M]- 320.13774858 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.