CID 3006432

Bdbm50131907

Structural Information

Molecular Formula
C11H18N3O8P
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)CN)O
InChI
InChI=1S/C11H18N3O8P/c1-5-3-14(11(17)13-9(5)16)10-8(15)6(2-12)7(22-10)4-21-23(18,19)20/h3,6-8,10,15H,2,4,12H2,1H3,(H,13,16,17)(H2,18,19,20)/t6-,7-,8-,10-/m1/s1
InChIKey
LZJOBHFWZYPRRA-FDDDBJFASA-N
Compound name
[(2S,3S,4R,5R)-3-(aminomethyl)-4-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl dihydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

351.08316 Da
Monoisotopic Mass

-5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.09044 175.3
[M+Na]+ 374.07238 182.0
[M-H]- 350.07588 174.2
[M+NH4]+ 369.11698 183.3
[M+K]+ 390.04632 180.7
[M+H-H2O]+ 334.08042 166.0
[M+HCOO]- 396.08136 194.2
[M+CH3COO]- 410.09701 205.9
[M+Na-2H]- 372.05783 173.2
[M]+ 351.08261 175.4
[M]- 351.08371 175.4
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.