CID 9570863

Acetic acid, (((1-(4-ethyl-3,4-dihydro-3-oxo-2h-1,4-benzoxazin-6-yl)ethylidene)amino)oxy)-

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]+ 293.113206 164.2
[M+Na]+ 315.095148 170.7
[M-H]- 291.098654 167.7
[M+NH4]+ 310.139753 177.6
[M+K]+ 331.069088 170.1
[M+H-H2O]+ 275.103190 156.3
[M+HCOO]- 337.104131 182.4
[M+CH3COO]- 351.119781 205.2
[M+Na-2H]- 313.080596 168.1
[M]+ 292.10538142 167.2
[M]- 292.10647858 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.