CID 16205687

Brn 4480120

Structural Information

Molecular Formula
C13H16N2O3
SMILES
CCO/N=C(\C)/C1=CC2=C(C=C1)OCC(=O)N2C
InChI
InChI=1S/C13H16N2O3/c1-4-18-14-9(2)10-5-6-12-11(7-10)15(3)13(16)8-17-12/h5-7H,4,8H2,1-3H3/b14-9+
InChIKey
UTNZJRMVZGHENY-NTEUORMPSA-N
Compound name
6-[(E)-N-ethoxy-C-methylcarbonimidoyl]-4-methyl-1,4-benzoxazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

248.11609 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.12337 155.5
[M+Na]+ 271.10531 167.7
[M+NH4]+ 266.14991 162.8
[M+K]+ 287.07925 162.0
[M-H]- 247.10881 158.8
[M+Na-2H]- 269.09076 159.7
[M]+ 248.11554 158.0
[M]- 248.11664 158.0
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.