CID 3010405

2(1h)-pyrimidinone, 4-amino-5-chloro-3,4-dihydro-1-((6r,7r)-tetrahydro-2,7-dihydroxy-2-oxido-4h-furo(3,2-d)-1,3,2-dioxaphosphorin-6-yl)-, ion(1-)

Structural Information

Molecular Formula
C9H11ClN3O7P
SMILES
C1C2C([C@H]([C@@H](O2)N3C=C(C(=NC3=O)N)Cl)O)OP(=O)(O1)O
InChI
InChI=1S/C9H11ClN3O7P/c10-3-1-13(9(15)12-7(3)11)8-5(14)6-4(19-8)2-18-21(16,17)20-6/h1,4-6,8,14H,2H2,(H,16,17)(H2,11,12,15)/t4?,5-,6?,8-/m1/s1
InChIKey
AFPXPOIWLTZAAD-DVMOCUDESA-N
Compound name
4-amino-5-chloro-1-[(6R,7R)-2,7-dihydroxy-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]pyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

339.00232 Da
Monoisotopic Mass

-2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.00960 168.8
[M+Na]+ 361.99154 178.8
[M-H]- 337.99504 172.6
[M+NH4]+ 357.03614 180.1
[M+K]+ 377.96548 178.8
[M+H-H2O]+ 321.99958 160.8
[M+HCOO]- 384.00052 183.2
[M+CH3COO]- 398.01617 204.7
[M+Na-2H]- 359.97699 169.8
[M]+ 339.00177 171.8
[M]- 339.00287 171.8
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.