CID 495642

Nsc664940

Structural Information

Molecular Formula
C11H15N3O4
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]3[C@H](O2)CON3C
InChI
InChI=1S/C11H15N3O4/c1-6-4-14(11(16)12-10(6)15)9-3-7-8(18-9)5-17-13(7)2/h4,7-9H,3,5H2,1-2H3,(H,12,15,16)/t7-,8-,9-/m1/s1
InChIKey
SHWXZXFWKWMMEY-IWSPIJDZSA-N
Compound name
1-[(3aS,5R,6aR)-1-methyl-3a,5,6,6a-tetrahydro-3H-furo[3,2-c][1,2]oxazol-5-yl]-5-methylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

253.10626 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.11354 154.8
[M+Na]+ 276.09548 165.3
[M-H]- 252.09898 159.4
[M+NH4]+ 271.14008 169.5
[M+K]+ 292.06942 163.9
[M+H-H2O]+ 236.10352 148.2
[M+HCOO]- 298.10446 170.8
[M+CH3COO]- 312.12011 167.2
[M+Na-2H]- 274.08093 155.7
[M]+ 253.10571 156.2
[M]- 253.10681 156.2
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.