CID 337508

Nsc355706

Structural Information

Molecular Formula
C14H18N3O6P
SMILES
CC1=CN(C(=O)NC1=O)C2CC3C(O2)COP(=O)(O3)C(C)(C)C#N
InChI
InChI=1S/C14H18N3O6P/c1-8-5-17(13(19)16-12(8)18)11-4-9-10(22-11)6-21-24(20,23-9)14(2,3)7-15/h5,9-11H,4,6H2,1-3H3,(H,16,18,19)
InChIKey
KWDXMQXKUMLXSS-UHFFFAOYSA-N
Compound name
2-methyl-2-[6-(5-methyl-2,4-dioxopyrimidin-1-yl)-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-2-yl]propanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

355.09332 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.10060 170.1
[M+Na]+ 378.08254 180.7
[M-H]- 354.08604 172.9
[M+NH4]+ 373.12714 179.4
[M+K]+ 394.05648 179.0
[M+H-H2O]+ 338.09058 154.6
[M+HCOO]- 400.09152 183.9
[M+CH3COO]- 414.10717 219.3
[M+Na-2H]- 376.06799 172.1
[M]+ 355.09277 167.3
[M]- 355.09387 167.3
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.