CID 213552

26727-04-8

Structural Information

Molecular Formula
C13H16N2O3
SMILES
CCN(CC)C(=O)C1C(=O)NC2=CC=CC=C2O1
InChI
InChI=1S/C13H16N2O3/c1-3-15(4-2)13(17)11-12(16)14-9-7-5-6-8-10(9)18-11/h5-8,11H,3-4H2,1-2H3,(H,14,16)
InChIKey
NMLZZPLKLJDRKW-UHFFFAOYSA-N
Compound name
N,N-diethyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

248.11609 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.12337 155.9
[M+Na]+ 271.10531 162.0
[M-H]- 247.10881 159.2
[M+NH4]+ 266.14991 171.1
[M+K]+ 287.07925 160.9
[M+H-H2O]+ 231.11335 148.3
[M+HCOO]- 293.11429 173.9
[M+CH3COO]- 307.12994 197.1
[M+Na-2H]- 269.09076 160.7
[M]+ 248.11554 155.9
[M]- 248.11664 155.9
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.