CID 453783

3'-amino-2',3'-dideoxy-5-(1-methylpropoxymethyl)uridine

Structural Information

Molecular Formula
C14H23N3O5
SMILES
CCC(C)OCC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)N
InChI
InChI=1S/C14H23N3O5/c1-3-8(2)21-7-9-5-17(14(20)16-13(9)19)12-4-10(15)11(6-18)22-12/h5,8,10-12,18H,3-4,6-7,15H2,1-2H3,(H,16,19,20)/t8?,10-,11+,12+/m0/s1
InChIKey
ZFEAVDZPQMQLAW-FPXWWAFOSA-N
Compound name
1-[(2R,4S,5S)-4-amino-5-(hydroxymethyl)oxolan-2-yl]-5-(butan-2-yloxymethyl)pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

313.16376 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.17104 172.5
[M+Na]+ 336.15298 179.5
[M-H]- 312.15648 174.6
[M+NH4]+ 331.19758 183.3
[M+K]+ 352.12692 176.9
[M+H-H2O]+ 296.16102 164.6
[M+HCOO]- 358.16196 188.8
[M+CH3COO]- 372.17761 204.3
[M+Na-2H]- 334.13843 170.8
[M]+ 313.16321 172.9
[M]- 313.16431 172.9
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.