CID 131878633

Phosphoribosylformylglycinamidine

Structural Information

Molecular Formula
C8H16N3O8P
SMILES
C([C@@H]1[C@H]([C@H]([C@@H](O1)N(CC(=N)N)C=O)O)O)OP(=O)(O)O
InChI
InChI=1S/C8H16N3O8P/c9-5(10)1-11(3-12)8-7(14)6(13)4(19-8)2-18-20(15,16)17/h3-4,6-8,13-14H,1-2H2,(H3,9,10)(H2,15,16,17)/t4-,6-,7-,8-/m1/s1
InChIKey
WQXXBAWHDQWCKL-XVFCMESISA-N
Compound name
[(2R,3S,4R,5R)-5-[(2-amino-2-iminoethyl)-formylamino]-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

313.0675 Da
Monoisotopic Mass

-4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.07478 162.7
[M+Na]+ 336.05672 165.3
[M-H]- 312.06022 161.0
[M+NH4]+ 331.10132 174.2
[M+K]+ 352.03066 167.0
[M+H-H2O]+ 296.06476 154.3
[M+HCOO]- 358.06570 185.5
[M+CH3COO]- 372.08135 206.0
[M+Na-2H]- 334.04217 161.8
[M]+ 313.06695 161.2
[M]- 313.06805 161.2
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

No patent data available for this compound.