CID 495506

Nsc656910

Structural Information

Molecular Formula
C16H15ClFN3O6
SMILES
C1C2C(C(C(O2)N3C=CC(=O)NC3=O)O)N(C(O1)C4=C(C=CC=C4Cl)F)O
InChI
InChI=1S/C16H15ClFN3O6/c17-7-2-1-3-8(18)11(7)14-21(25)12-9(6-26-14)27-15(13(12)23)20-5-4-10(22)19-16(20)24/h1-5,9,12-15,23,25H,6H2,(H,19,22,24)
InChIKey
FJCUNHMGNIDAQU-UHFFFAOYSA-N
Compound name
1-[2-(2-chloro-6-fluorophenyl)-1,7-dihydroxy-2,4,4a,6,7,7a-hexahydrofuro[3,2-d][1,3]oxazin-6-yl]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

399.06335 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 400.07063 189.4
[M+Na]+ 422.05257 199.9
[M-H]- 398.05607 193.3
[M+NH4]+ 417.09717 195.5
[M+K]+ 438.02651 195.2
[M+H-H2O]+ 382.06061 180.0
[M+HCOO]- 444.06155 194.1
[M+CH3COO]- 458.07720 197.8
[M+Na-2H]- 420.03802 187.6
[M]+ 399.06280 189.5
[M]- 399.06390 189.5
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.