CID 134111

5-benzyloxybenzylacyclouridine

Structural Information

Molecular Formula
C21H22N2O5
SMILES
C1=CC=C(C=C1)COC2=CC=CC(=C2)CC3=CN(C(=O)NC3=O)COCCO
InChI
InChI=1S/C21H22N2O5/c24-9-10-27-15-23-13-18(20(25)22-21(23)26)11-17-7-4-8-19(12-17)28-14-16-5-2-1-3-6-16/h1-8,12-13,24H,9-11,14-15H2,(H,22,25,26)
InChIKey
CSXNPJKDZKLDET-UHFFFAOYSA-N
Compound name
1-(2-hydroxyethoxymethyl)-5-[(3-phenylmethoxyphenyl)methyl]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

27
Patents

382.15286 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.16014 189.9
[M+Na]+ 405.14208 197.0
[M-H]- 381.14558 194.3
[M+NH4]+ 400.18668 196.8
[M+K]+ 421.11602 190.9
[M+H-H2O]+ 365.15012 178.4
[M+HCOO]- 427.15106 208.4
[M+CH3COO]- 441.16671 213.4
[M+Na-2H]- 403.12753 192.9
[M]+ 382.15231 192.8
[M]- 382.15341 192.8
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

patents stripe