CID 132281850

Cytidine 3'-phospho-5'-diphosphoramidate

Structural Information

Molecular Formula
C9H17N4O13P3
SMILES
C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(N)O)OP(=O)(O)O)O
InChI
InChI=1S/C9H17N4O13P3/c10-5-1-2-13(9(15)12-5)8-6(14)7(25-28(18,19)20)4(24-8)3-23-29(21,22)26-27(11,16)17/h1-2,4,6-8,14H,3H2,(H,21,22)(H2,10,12,15)(H3,11,16,17)(H2,18,19,20)/t4-,6-,7-,8-/m1/s1
InChIKey
IBTJOXBAHPGOJB-XVFCMESISA-N
Compound name
[[(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxyphosphonamidic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

482.0005 Da
Monoisotopic Mass

-5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 483.00778 190.2
[M+Na]+ 504.98972 194.3
[M-H]- 480.99322 187.0
[M+NH4]+ 500.03432 190.4
[M+K]+ 520.96366 191.0
[M+H-H2O]+ 464.99776 176.7
[M+HCOO]- 526.99870 193.4
[M+CH3COO]- 541.01435 230.1
[M+Na-2H]- 502.97517 195.8
[M]+ 481.99995 181.9
[M]- 482.00105 181.9
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.