CID 135476781

2-amino-5-formylamino-6-(1-d-ribosylamino)pyrimidin-4(3h)-one 5'-phosphate(2-)

Structural Information

Molecular Formula
C10H16N5O9P
SMILES
C([C@@H]1[C@H]([C@H]([C@@H](O1)NC2=C(C(=O)NC(=N2)N)NC=O)O)O)OP(=O)(O)O
InChI
InChI=1S/C10H16N5O9P/c11-10-14-7(4(12-2-16)8(19)15-10)13-9-6(18)5(17)3(24-9)1-23-25(20,21)22/h2-3,5-6,9,17-18H,1H2,(H,12,16)(H2,20,21,22)(H4,11,13,14,15,19)/t3-,5-,6-,9-/m1/s1
InChIKey
VKMYTDDVUBGBDH-UUOKFMHZSA-N
Compound name
[(2R,3S,4R,5R)-5-[(2-amino-5-formamido-6-oxo-1H-pyrimidin-4-yl)amino]-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

381.06857 Da
Monoisotopic Mass

-4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 382.07585 180.1
[M+Na]+ 404.05779 182.3
[M+NH4]+ 399.10239 178.7
[M+K]+ 420.03173 187.9
[M-H]- 380.06129 176.8
[M+Na-2H]- 402.04324 176.6
[M]+ 381.06802 178.1
[M]- 381.06912 178.1
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.