CID 453119

2',3'-dideoxy-5-methoxymethylcytidine

Structural Information

Molecular Formula
C11H17N3O4
SMILES
COCC1=CN(C(=O)N=C1N)[C@H]2CC[C@H](O2)CO
InChI
InChI=1S/C11H17N3O4/c1-17-6-7-4-14(11(16)13-10(7)12)9-3-2-8(5-15)18-9/h4,8-9,15H,2-3,5-6H2,1H3,(H2,12,13,16)/t8-,9+/m0/s1
InChIKey
DPICHXITSIHAOF-DTWKUNHWSA-N
Compound name
4-amino-1-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-5-(methoxymethyl)pyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

255.1219 Da
Monoisotopic Mass

-1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.12918 156.1
[M+Na]+ 278.11112 164.1
[M-H]- 254.11462 159.5
[M+NH4]+ 273.15572 169.9
[M+K]+ 294.08506 162.4
[M+H-H2O]+ 238.11916 148.1
[M+HCOO]- 300.12010 175.6
[M+CH3COO]- 314.13575 193.4
[M+Na-2H]- 276.09657 158.1
[M]+ 255.12135 156.7
[M]- 255.12245 156.7
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

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