CID 24832436

Brn 4551103

Structural Information

Molecular Formula
C15H18N2O5
SMILES
CCOC(=O)CO/N=C(/C)\C1=CC2=C(C=C1)OCC(=O)N2C
InChI
InChI=1S/C15H18N2O5/c1-4-20-15(19)9-22-16-10(2)11-5-6-13-12(7-11)17(3)14(18)8-21-13/h5-7H,4,8-9H2,1-3H3/b16-10-
InChIKey
XDNOHQOOAMZWMJ-YBEGLDIGSA-N
Compound name
ethyl 2-[(Z)-1-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)ethylideneamino]oxyacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

306.12158 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.12886 168.6
[M+Na]+ 329.11080 175.1
[M-H]- 305.11430 173.3
[M+NH4]+ 324.15540 182.2
[M+K]+ 345.08474 175.2
[M+H-H2O]+ 289.11884 160.3
[M+HCOO]- 351.11978 188.0
[M+CH3COO]- 365.13543 209.9
[M+Na-2H]- 327.09625 172.4
[M]+ 306.12103 173.7
[M]- 306.12213 173.7
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.