CID 107777

Fusarochromanone

Structural Information

Molecular Formula
C15H20N2O4
SMILES
CC1(CC(=O)C2=C(O1)C=CC(=C2N)C(=O)CC(CO)N)C
InChI
InChI=1S/C15H20N2O4/c1-15(2)6-11(20)13-12(21-15)4-3-9(14(13)17)10(19)5-8(16)7-18/h3-4,8,18H,5-7,16-17H2,1-2H3
InChIKey
COSICWYFCAPPJB-UHFFFAOYSA-N
Compound name
5-amino-6-(3-amino-4-hydroxybutanoyl)-2,2-dimethyl-3H-chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

22
References

110
Patents

292.1423 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.14958 168.1
[M+Na]+ 315.13152 174.6
[M-H]- 291.13502 171.0
[M+NH4]+ 310.17612 183.8
[M+K]+ 331.10546 173.0
[M+H-H2O]+ 275.13956 162.2
[M+HCOO]- 337.14050 184.9
[M+CH3COO]- 351.15615 207.6
[M+Na-2H]- 313.11697 169.6
[M]+ 292.14175 166.6
[M]- 292.14285 166.6
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

patents stripe