CID 129318083

Cdp-nh2

Structural Information

Molecular Formula
C9H16N4O10P2
SMILES
C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(N)O)O)O
InChI
InChI=1S/C9H16N4O10P2/c10-5-1-2-13(9(16)12-5)8-7(15)6(14)4(22-8)3-21-25(19,20)23-24(11,17)18/h1-2,4,6-8,14-15H,3H2,(H,19,20)(H2,10,12,16)(H3,11,17,18)/t4-,6-,7-,8-/m1/s1
InChIKey
BSLSKFONEPFAKO-XVFCMESISA-N
Compound name
[[(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxyphosphonamidic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

402.03418 Da
Monoisotopic Mass

-4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 403.04146 179.6
[M+Na]+ 425.02340 183.0
[M-H]- 401.02690 176.8
[M+NH4]+ 420.06800 184.5
[M+K]+ 440.99734 185.1
[M+H-H2O]+ 385.03144 167.6
[M+HCOO]- 447.03238 202.8
[M+CH3COO]- 461.04803 217.0
[M+Na-2H]- 423.00885 179.6
[M]+ 402.03363 179.0
[M]- 402.03473 179.1
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.