CID 23192

Cytosine arabinoside triacetate

Structural Information

Molecular Formula
C15H19N3O8
SMILES
CC(=O)OC[C@@H]1[C@H]([C@@H]([C@@H](O1)N2C=CC(=NC2=O)N)OC(=O)C)OC(=O)C
InChI
InChI=1S/C15H19N3O8/c1-7(19)23-6-10-12(24-8(2)20)13(25-9(3)21)14(26-10)18-5-4-11(16)17-15(18)22/h4-5,10,12-14H,6H2,1-3H3,(H2,16,17,22)/t10-,12-,13+,14-/m1/s1
InChIKey
YTIZHZPRFYKRIG-RUZUBIRVSA-N
Compound name
[(2R,3R,4S,5R)-3,4-diacetyloxy-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methyl acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

369.11722 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.12450 179.0
[M+Na]+ 392.10644 185.8
[M-H]- 368.10994 184.1
[M+NH4]+ 387.15104 188.4
[M+K]+ 408.08038 186.9
[M+H-H2O]+ 352.11448 170.7
[M+HCOO]- 414.11542 197.1
[M+CH3COO]- 428.13107 217.2
[M+Na-2H]- 390.09189 176.5
[M]+ 369.11667 184.9
[M]- 369.11777 184.9
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