CID 131752502

Diacetylfusarochromanone

Structural Information

Molecular Formula
C19H24N2O6
SMILES
CC(=O)NC(CC(=O)C1=C(C2=C(C=C1)OC(CC2=O)(C)C)N)COC(=O)C
InChI
InChI=1S/C19H24N2O6/c1-10(22)21-12(9-26-11(2)23)7-14(24)13-5-6-16-17(18(13)20)15(25)8-19(3,4)27-16/h5-6,12H,7-9,20H2,1-4H3,(H,21,22)
InChIKey
NJAMLUYVOHURJN-UHFFFAOYSA-N
Compound name
[2-acetamido-4-(5-amino-2,2-dimethyl-4-oxo-3H-chromen-6-yl)-4-oxobutyl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

376.16342 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.170696 187.2
[M+Na]+ 399.152638 192.1
[M-H]- 375.156144 191.3
[M+NH4]+ 394.197243 200.0
[M+K]+ 415.126578 192.4
[M+H-H2O]+ 359.160680 180.7
[M+HCOO]- 421.161621 203.6
[M+CH3COO]- 435.177271 226.2
[M+Na-2H]- 397.138086 186.6
[M]+ 376.16287142 190.0
[M]- 376.16396858 190.0
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.