CID 137199997

Charine

Structural Information

Molecular Formula
C9H14N4O6
SMILES
C1C(C(C(C(O1)OC2=C(N=C(NC2=O)N)N)O)O)O
InChI
InChI=1S/C9H14N4O6/c10-6-5(7(17)13-9(11)12-6)19-8-4(16)3(15)2(14)1-18-8/h2-4,8,14-16H,1H2,(H5,10,11,12,13,17)
InChIKey
VSPBJCAGAJBGKS-UHFFFAOYSA-N
Compound name
2,4-diamino-5-(3,4,5-trihydroxyoxan-2-yl)oxy-1H-pyrimidin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

362
Patents

274.09134 Da
Monoisotopic Mass

-3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.09862 159.6
[M+Na]+ 297.08056 167.5
[M+NH4]+ 292.12516 162.4
[M+K]+ 313.05450 167.3
[M-H]- 273.08406 160.0
[M+Na-2H]- 295.06601 159.9
[M]+ 274.09079 160.0
[M]- 274.09189 160.0
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