CID 11481534

Schembl9803735

Structural Information

Molecular Formula
C9H14N4O3
SMILES
C1C[C@@H](O[C@@H]1CO)N2C=C(C(=NC2=O)N)N
InChI
InChI=1S/C9H14N4O3/c10-6-3-13(9(15)12-8(6)11)7-2-1-5(4-14)16-7/h3,5,7,14H,1-2,4,10H2,(H2,11,12,15)/t5-,7+/m0/s1
InChIKey
SUQWWSCHGVFKPZ-CAHLUQPWSA-N
Compound name
4,5-diamino-1-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

226.1066 Da
Monoisotopic Mass

-1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.11388 148.9
[M+Na]+ 249.09582 157.2
[M-H]- 225.09932 152.2
[M+NH4]+ 244.14042 163.4
[M+K]+ 265.06976 154.9
[M+H-H2O]+ 209.10386 141.0
[M+HCOO]- 271.10480 169.3
[M+CH3COO]- 285.12045 190.0
[M+Na-2H]- 247.08127 151.3
[M]+ 226.10605 145.7
[M]- 226.10715 145.7
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