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]+ 268.12920 160.0
[M+Na]+ 290.11114 170.1
[M-H]- 266.11464 166.2
[M+NH4]+ 285.15574 168.3
[M+K]+ 306.08508 165.2
[M+H-H2O]+ 250.11918 152.7
[M+HCOO]- 312.12012 177.9
[M+CH3COO]- 326.13577 196.9
[M+Na-2H]- 288.09659 160.7
[M]+ 267.12137 161.1
[M]- 267.12247 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.