CID 474462

2',3'-dideoxy-n-(2,2-dimethyl-1-oxopropyl)-3'-(hydroxymethyl)cytidine

Structural Information

Molecular Formula
C15H23N3O5
SMILES
CC(C)(C)C(=O)NC1=NC(=O)N(C=C1)[C@H]2C[C@@H]([C@H](O2)CO)CO
InChI
InChI=1S/C15H23N3O5/c1-15(2,3)13(21)16-11-4-5-18(14(22)17-11)12-6-9(7-19)10(8-20)23-12/h4-5,9-10,12,19-20H,6-8H2,1-3H3,(H,16,17,21,22)/t9-,10-,12-/m1/s1
InChIKey
BOVYHQQUTJCZLB-CKYFFXLPSA-N
Compound name
N-[1-[(2R,4R,5S)-4,5-bis(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]-2,2-dimethylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

325.16376 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.17104 176.3
[M+Na]+ 348.15298 182.4
[M-H]- 324.15648 178.8
[M+NH4]+ 343.19758 186.8
[M+K]+ 364.12692 180.7
[M+H-H2O]+ 308.16102 168.9
[M+HCOO]- 370.16196 191.4
[M+CH3COO]- 384.17761 205.4
[M+Na-2H]- 346.13843 177.1
[M]+ 325.16321 177.0
[M]- 325.16431 177.0
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.