CID 440417

5'-phosphoribosyl-n-formylglycinamidine

Structural Information

Molecular Formula
C8H16N3O8P
SMILES
C([C@@H]1[C@H]([C@H]([C@@H](O1)N=C(CNC=O)N)O)O)OP(=O)(O)O
InChI
InChI=1S/C8H16N3O8P/c9-5(1-10-3-12)11-8-7(14)6(13)4(19-8)2-18-20(15,16)17/h3-4,6-8,13-14H,1-2H2,(H2,9,11)(H,10,12)(H2,15,16,17)/t4-,6-,7-,8-/m1/s1
InChIKey
PMCOGCVKOAOZQM-XVFCMESISA-N
Compound name
[(2R,3S,4R,5R)-5-[(1-amino-2-formamidoethylidene)amino]-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

71
Patents

313.0675 Da
Monoisotopic Mass

-4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.07478 166.3
[M+Na]+ 336.05672 166.8
[M+NH4]+ 331.10132 166.7
[M+K]+ 352.03066 171.3
[M-H]- 312.06022 162.5
[M+Na-2H]- 334.04217 161.9
[M]+ 313.06695 163.9
[M]- 313.06805 163.9
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

patents stripe