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]+ 377.17070 187.2
[M+Na]+ 399.15264 192.1
[M-H]- 375.15614 191.3
[M+NH4]+ 394.19724 200.0
[M+K]+ 415.12658 192.4
[M+H-H2O]+ 359.16068 180.7
[M+HCOO]- 421.16162 203.6
[M+CH3COO]- 435.17727 226.2
[M+Na-2H]- 397.13809 186.6
[M]+ 376.16287 190.0
[M]- 376.16397 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.