CID 15714827

100100-61-6

Structural Information

Molecular Formula
C10H12IN2O7P
SMILES
COP1(=O)OC[C@@H]2[C@@H](O1)C[C@@H](O2)N3C=C(C(=O)NC3=O)I
InChI
InChI=1S/C10H12IN2O7P/c1-17-21(16)18-4-7-6(20-21)2-8(19-7)13-3-5(11)9(14)12-10(13)15/h3,6-8H,2,4H2,1H3,(H,12,14,15)/t6-,7+,8+,21?/m0/s1
InChIKey
XMHMOPBDNAQNDJ-RHODASDESA-N
Compound name
1-[(4aR,6R,7aS)-2-methoxy-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]-5-iodopyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

429.9427 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 430.94998 172.6
[M+Na]+ 452.93192 174.9
[M-H]- 428.93542 170.4
[M+NH4]+ 447.97652 179.9
[M+K]+ 468.90586 181.9
[M+H-H2O]+ 412.93996 160.1
[M+HCOO]- 474.94090 187.3
[M+CH3COO]- 488.95655 209.0
[M+Na-2H]- 450.91737 163.1
[M]+ 429.94215 173.2
[M]- 429.94325 173.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.