CID 98913

1-(2-o-methyl-beta-d-arabinofuranosyl)cytosine

Structural Information

Molecular Formula
C10H15N3O5
SMILES
CO[C@H]1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)CO)O
InChI
InChI=1S/C10H15N3O5/c1-17-8-7(15)5(4-14)18-9(8)13-3-2-6(11)12-10(13)16/h2-3,5,7-9,14-15H,4H2,1H3,(H2,11,12,16)/t5-,7-,8+,9-/m1/s1
InChIKey
RFCQJGFZUQFYRF-BUJSFMDZSA-N
Compound name
4-amino-1-[(2R,3S,4R,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]pyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

26
References

7034
Patents

257.10117 Da
Monoisotopic Mass

-1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.10845 154.9
[M+Na]+ 280.09039 163.6
[M-H]- 256.09389 157.6
[M+NH4]+ 275.13499 168.1
[M+K]+ 296.06433 162.0
[M+H-H2O]+ 240.09843 147.4
[M+HCOO]- 302.09937 173.4
[M+CH3COO]- 316.11502 191.9
[M+Na-2H]- 278.07584 156.4
[M]+ 257.10062 155.2
[M]- 257.10172 155.2
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