CID 22833657

[(2r,3s,4r,5r)-5-[(z)-[amino(formamido)methylidene]amino]-3,4-dihydroxyoxolan-2-yl] dihydrogen phosphate

Structural Information

Molecular Formula
C6H12N3O8P
SMILES
C(=O)N/C(=N\[C@H]1[C@@H]([C@@H]([C@H](O1)OP(=O)(O)O)O)O)/N
InChI
InChI=1S/C6H12N3O8P/c7-6(8-1-10)9-4-2(11)3(12)5(16-4)17-18(13,14)15/h1-5,11-12H,(H2,13,14,15)(H3,7,8,9,10)/t2-,3+,4-,5-/m1/s1
InChIKey
OKXISSDNJVDCJE-KKQCNMDGSA-N
Compound name
[(2R,3S,4R,5R)-5-[(Z)-[amino(formamido)methylidene]amino]-3,4-dihydroxyoxolan-2-yl] dihydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

285.0362 Da
Monoisotopic Mass

-3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.04348 153.4
[M+Na]+ 308.02542 157.4
[M-H]- 284.02892 152.1
[M+NH4]+ 303.07002 166.3
[M+K]+ 323.99936 158.8
[M+H-H2O]+ 268.03346 145.2
[M+HCOO]- 330.03440 177.9
[M+CH3COO]- 344.05005 197.7
[M+Na-2H]- 306.01087 154.7
[M]+ 285.03565 151.7
[M]- 285.03675 151.7
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.