CID 119184

Cndac

Structural Information

Molecular Formula
C10H12N4O4
SMILES
C1=CN(C(=O)N=C1N)[C@H]2[C@H]([C@@H]([C@H](O2)CO)O)C#N
InChI
InChI=1S/C10H12N4O4/c11-3-5-8(16)6(4-15)18-9(5)14-2-1-7(12)13-10(14)17/h1-2,5-6,8-9,15-16H,4H2,(H2,12,13,17)/t5-,6+,8-,9+/m0/s1
InChIKey
DCYBPMFXJCWXNB-JWIUVKOKSA-N
Compound name
(2R,3S,4S,5R)-2-(4-amino-2-oxopyrimidin-1-yl)-4-hydroxy-5-(hydroxymethyl)oxolane-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

34
References

1007
Patents

252.08586 Da
Monoisotopic Mass

-2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.09314 152.5
[M+Na]+ 275.07508 162.5
[M-H]- 251.07858 153.6
[M+NH4]+ 270.11968 164.0
[M+K]+ 291.04902 159.9
[M+H-H2O]+ 235.08312 138.0
[M+HCOO]- 297.08406 167.2
[M+CH3COO]- 311.09971 202.2
[M+Na-2H]- 273.06053 153.6
[M]+ 252.08531 145.8
[M]- 252.08641 145.8
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