CID 53481030

Cytidine 2',3'-cyclic phosphate

Structural Information

Molecular Formula
C9H12N3O7P
SMILES
C1=CN(C(=O)N=C1N)C2[C@H]3[C@@H]([C@H](O2)CO)OP(=O)(O3)O
InChI
InChI=1S/C9H12N3O7P/c10-5-1-2-12(9(14)11-5)8-7-6(4(3-13)17-8)18-20(15,16)19-7/h1-2,4,6-8,13H,3H2,(H,15,16)(H2,10,11,14)/t4-,6-,7-,8?/m1/s1
InChIKey
NMPZCCZXCOMSDQ-ZRTZXPPTSA-N
Compound name
1-[(3aR,6R,6aR)-2-hydroxy-6-(hydroxymethyl)-2-oxo-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3,2]dioxaphosphol-4-yl]-4-aminopyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

10
References

480
Patents

305.0413 Da
Monoisotopic Mass

-3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.04858 162.2
[M+Na]+ 328.03052 170.0
[M+NH4]+ 323.07512 167.0
[M+K]+ 344.00446 172.2
[M-H]- 304.03402 164.4
[M+Na-2H]- 326.01597 161.9
[M]+ 305.04075 163.4
[M]- 305.04185 163.4
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

patents stripe