CID 379816

Nsc664942

Structural Information

Molecular Formula
C17H19N3O5
SMILES
CC1=CN(C(=O)NC1=O)C2CC3C(O2)COC(N3O)C4=CC=CC=C4
InChI
InChI=1S/C17H19N3O5/c1-10-8-19(17(22)18-15(10)21)14-7-12-13(25-14)9-24-16(20(12)23)11-5-3-2-4-6-11/h2-6,8,12-14,16,23H,7,9H2,1H3,(H,18,21,22)
InChIKey
OGVICCFQIICGSU-UHFFFAOYSA-N
Compound name
1-(1-hydroxy-2-phenyl-2,4,4a,6,7,7a-hexahydrofuro[3,2-d][1,3]oxazin-6-yl)-5-methylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

345.13248 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.13976 180.7
[M+Na]+ 368.12170 189.2
[M-H]- 344.12520 186.6
[M+NH4]+ 363.16630 188.4
[M+K]+ 384.09564 185.8
[M+H-H2O]+ 328.12974 171.1
[M+HCOO]- 390.13068 192.2
[M+CH3COO]- 404.14633 190.0
[M+Na-2H]- 366.10715 181.1
[M]+ 345.13193 179.3
[M]- 345.13303 179.3
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.