CID 496881

Nsc701700

Structural Information

Molecular Formula
C19H20N4O8
SMILES
CC1=CN(C(=O)NC1=O)C2CC3C(O2)COC(N3OC(=O)C)C4=CC=C(C=C4)[N+](=O)[O-]
InChI
InChI=1S/C19H20N4O8/c1-10-8-21(19(26)20-17(10)25)16-7-14-15(30-16)9-29-18(22(14)31-11(2)24)12-3-5-13(6-4-12)23(27)28/h3-6,8,14-16,18H,7,9H2,1-2H3,(H,20,25,26)
InChIKey
LOUCRTJCICAPHE-UHFFFAOYSA-N
Compound name
[6-(5-methyl-2,4-dioxopyrimidin-1-yl)-2-(4-nitrophenyl)-2,4,4a,6,7,7a-hexahydrofuro[3,2-d][1,3]oxazin-1-yl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

432.1281 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 433.13538 197.8
[M+Na]+ 455.11732 203.1
[M-H]- 431.12082 205.1
[M+NH4]+ 450.16192 201.1
[M+K]+ 471.09126 197.5
[M+H-H2O]+ 415.12536 191.9
[M+HCOO]- 477.12630 210.1
[M+CH3COO]- 491.14195 220.1
[M+Na-2H]- 453.10277 199.9
[M]+ 432.12755 197.3
[M]- 432.12865 197.3
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.