CID 5274211

2(1h)-pyrimidinone, 4-amino-5-cyclopropyl-1-(2-deoxy-.alpha.-d-erythro-pentofuranosyl)-

Structural Information

Molecular Formula
C12H17N3O4
SMILES
C1CC1C2=CN(C(=O)N=C2N)[C@@H]3C[C@@H]([C@H](O3)CO)O
InChI
InChI=1S/C12H17N3O4/c13-11-7(6-1-2-6)4-15(12(18)14-11)10-3-8(17)9(5-16)19-10/h4,6,8-10,16-17H,1-3,5H2,(H2,13,14,18)/t8-,9+,10-/m0/s1
InChIKey
AXFOOZJGFNSVJT-AEJSXWLSSA-N
Compound name
4-amino-5-cyclopropyl-1-[(2S,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

267.12192 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.129196 160.0
[M+Na]+ 290.111138 170.1
[M-H]- 266.114644 166.2
[M+NH4]+ 285.155743 168.3
[M+K]+ 306.085078 165.2
[M+H-H2O]+ 250.119180 152.7
[M+HCOO]- 312.120121 177.9
[M+CH3COO]- 326.135771 196.9
[M+Na-2H]- 288.096586 160.7
[M]+ 267.12137142 161.1
[M]- 267.12246858 161.1
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.