CID 453120

2',3'-dideoxy-5-(1-methylpropoxymethyl)cytidine

Structural Information

Molecular Formula
C14H23N3O4
SMILES
CCC(C)OCC1=CN(C(=O)N=C1N)[C@H]2CC[C@H](O2)CO
InChI
InChI=1S/C14H23N3O4/c1-3-9(2)20-8-10-6-17(14(19)16-13(10)15)12-5-4-11(7-18)21-12/h6,9,11-12,18H,3-5,7-8H2,1-2H3,(H2,15,16,19)/t9?,11-,12+/m0/s1
InChIKey
AMEMHOZQWMFZEH-CLGJWYQZSA-N
Compound name
4-amino-5-(butan-2-yloxymethyl)-1-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

297.16885 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.17613 170.0
[M+Na]+ 320.15807 176.5
[M-H]- 296.16157 173.1
[M+NH4]+ 315.20267 182.1
[M+K]+ 336.13201 174.7
[M+H-H2O]+ 280.16611 161.7
[M+HCOO]- 342.16705 187.6
[M+CH3COO]- 356.18270 203.4
[M+Na-2H]- 318.14352 169.3
[M]+ 297.16830 171.1
[M]- 297.16940 171.1
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.