CID 456513

Dtxsid70947635

Structural Information

Molecular Formula
C10H13N3O7
SMILES
C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H](C(O2)[C@@H](C(=O)O)N)O)O
InChI
InChI=1S/C10H13N3O7/c11-4(9(17)18)7-5(15)6(16)8(20-7)13-2-1-3(14)12-10(13)19/h1-2,4-8,15-16H,11H2,(H,17,18)(H,12,14,19)/t4-,5-,6+,7?,8+/m0/s1
InChIKey
OTBZTPBBZITZBP-AGNOLJMWSA-N
Compound name
(2S)-2-amino-2-[(3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

287.07535 Da
Monoisotopic Mass

-4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.08263 159.2
[M+Na]+ 310.06457 166.4
[M-H]- 286.06807 159.4
[M+NH4]+ 305.10917 169.1
[M+K]+ 326.03851 164.5
[M+H-H2O]+ 270.07261 152.1
[M+HCOO]- 332.07355 173.3
[M+CH3COO]- 346.08920 193.7
[M+Na-2H]- 308.05002 157.7
[M]+ 287.07480 156.1
[M]- 287.07590 156.1
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.