CID 451839

5'-nh2-d4c

Structural Information

Molecular Formula
C9H12N4O2
SMILES
C1=C[C@@H](O[C@@H]1CN)N2C=CC(=NC2=O)N
InChI
InChI=1S/C9H12N4O2/c10-5-6-1-2-8(15-6)13-4-3-7(11)12-9(13)14/h1-4,6,8H,5,10H2,(H2,11,12,14)/t6-,8+/m0/s1
InChIKey
JUEUSRJBAPCHOF-POYBYMJQSA-N
Compound name
4-amino-1-[(2R,5S)-5-(aminomethyl)-2,5-dihydrofuran-2-yl]pyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

208.09602 Da
Monoisotopic Mass

-1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.10330 143.7
[M+Na]+ 231.08524 152.7
[M-H]- 207.08874 148.4
[M+NH4]+ 226.12984 159.5
[M+K]+ 247.05918 150.5
[M+H-H2O]+ 191.09328 135.5
[M+HCOO]- 253.09422 167.0
[M+CH3COO]- 267.10987 188.3
[M+Na-2H]- 229.07069 148.2
[M]+ 208.09547 142.0
[M]- 208.09657 142.0
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