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]+ 298.176126 170.0
[M+Na]+ 320.158068 176.5
[M-H]- 296.161574 173.1
[M+NH4]+ 315.202673 182.1
[M+K]+ 336.132008 174.7
[M+H-H2O]+ 280.166110 161.7
[M+HCOO]- 342.167051 187.6
[M+CH3COO]- 356.182701 203.4
[M+Na-2H]- 318.143516 169.3
[M]+ 297.16830142 171.1
[M]- 297.16939858 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

literature stripe

Patent stripe

No patent data available for this compound.