CID 129652037

5-phosphoribosyl-n-formylglycinamide

Structural Information

Molecular Formula
C8H15N2O9P
SMILES
C([C@@H]1[C@H]([C@H](C(O1)NCC(=O)NC=O)O)O)OP(=O)(O)O
InChI
InChI=1S/C8H15N2O9P/c11-3-10-5(12)1-9-8-7(14)6(13)4(19-8)2-18-20(15,16)17/h3-4,6-9,13-14H,1-2H2,(H,10,11,12)(H2,15,16,17)/t4-,6-,7-,8?/m1/s1
InChIKey
ADLAKTDQAWVTRY-ZRTZXPPTSA-N
Compound name
[(2R,3S,4R)-5-[(2-formamido-2-oxoethyl)amino]-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

22
Patents

314.0515 Da
Monoisotopic Mass

-6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.05878 161.3
[M+Na]+ 337.04072 164.5
[M-H]- 313.04422 158.7
[M+NH4]+ 332.08532 172.7
[M+K]+ 353.01466 165.6
[M+H-H2O]+ 297.04876 153.3
[M+HCOO]- 359.04970 183.4
[M+CH3COO]- 373.06535 199.5
[M+Na-2H]- 335.02617 162.1
[M]+ 314.05095 161.8
[M]- 314.05205 161.8
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