CID 129630972

5-phosphoribosylglycinamide

Structural Information

Molecular Formula
C7H15N2O8P
SMILES
C([C@@H]1[C@H]([C@H](C(O1)NCC(=O)N)O)O)OP(=O)(O)O
InChI
InChI=1S/C7H15N2O8P/c8-4(10)1-9-7-6(12)5(11)3(17-7)2-16-18(13,14)15/h3,5-7,9,11-12H,1-2H2,(H2,8,10)(H2,13,14,15)/t3-,5-,6-,7?/m1/s1
InChIKey
IXSPYRJFXGEAMF-HJZCUYRDSA-N
Compound name
[(2R,3S,4R)-5-[(2-amino-2-oxoethyl)amino]-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

35
Patents

286.0566 Da
Monoisotopic Mass

-6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.06388 157.3
[M+Na]+ 309.04582 160.9
[M-H]- 285.04932 154.3
[M+NH4]+ 304.09042 169.7
[M+K]+ 325.01976 161.7
[M+H-H2O]+ 269.05386 149.5
[M+HCOO]- 331.05480 178.7
[M+CH3COO]- 345.07045 195.0
[M+Na-2H]- 307.03127 156.9
[M]+ 286.05605 155.8
[M]- 286.05715 155.8
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