CID 468231

6-benzyl-5-ethyl-2',3'-dideoxyuridine

Structural Information

Molecular Formula
C18H22N2O4
SMILES
CCC1=C(N(C(=O)NC1=O)[C@H]2CC[C@H](O2)CO)CC3=CC=CC=C3
InChI
InChI=1S/C18H22N2O4/c1-2-14-15(10-12-6-4-3-5-7-12)20(18(23)19-17(14)22)16-9-8-13(11-21)24-16/h3-7,13,16,21H,2,8-11H2,1H3,(H,19,22,23)/t13-,16+/m0/s1
InChIKey
AQXPPFQAEINNGR-XJKSGUPXSA-N
Compound name
6-benzyl-5-ethyl-1-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

330.15796 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.16524 177.4
[M+Na]+ 353.14718 185.3
[M-H]- 329.15068 183.1
[M+NH4]+ 348.19178 187.8
[M+K]+ 369.12112 180.5
[M+H-H2O]+ 313.15522 168.4
[M+HCOO]- 375.15616 194.1
[M+CH3COO]- 389.17181 204.1
[M+Na-2H]- 351.13263 177.1
[M]+ 330.15741 177.4
[M]- 330.15851 177.4
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.