CID 9570863

Brn 4547172

Structural Information

Molecular Formula
C14H16N2O5
SMILES
CCN1C(=O)COC2=C1C=C(C=C2)/C(=N/OCC(=O)O)/C
InChI
InChI=1S/C14H16N2O5/c1-3-16-11-6-10(9(2)15-21-8-14(18)19)4-5-12(11)20-7-13(16)17/h4-6H,3,7-8H2,1-2H3,(H,18,19)/b15-9+
InChIKey
NLMUVIAJRFQMPQ-OQLLNIDSSA-N
Compound name
2-[(E)-1-(4-ethyl-3-oxo-1,4-benzoxazin-6-yl)ethylideneamino]oxyacetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

292.10593 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.11321 164.2
[M+Na]+ 315.09515 170.7
[M-H]- 291.09865 167.7
[M+NH4]+ 310.13975 177.6
[M+K]+ 331.06909 170.1
[M+H-H2O]+ 275.10319 156.3
[M+HCOO]- 337.10413 182.4
[M+CH3COO]- 351.11978 205.2
[M+Na-2H]- 313.08060 168.1
[M]+ 292.10538 167.2
[M]- 292.10648 167.2
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.