CID 452910

6bz-1-(2ohetome)t

Structural Information

Molecular Formula
C15H18N2O4
SMILES
CC1=C(N(C(=O)NC1=O)COCCO)CC2=CC=CC=C2
InChI
InChI=1S/C15H18N2O4/c1-11-13(9-12-5-3-2-4-6-12)17(10-21-8-7-18)15(20)16-14(11)19/h2-6,18H,7-10H2,1H3,(H,16,19,20)
InChIKey
JDHHYTNCZKDKMG-UHFFFAOYSA-N
Compound name
6-benzyl-1-(2-hydroxyethoxymethyl)-5-methylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

7
Patents

290.12665 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.133926 165.5
[M+Na]+ 313.115868 174.6
[M-H]- 289.119374 167.4
[M+NH4]+ 308.160473 177.2
[M+K]+ 329.089808 169.4
[M+H-H2O]+ 273.123910 156.6
[M+HCOO]- 335.124851 184.9
[M+CH3COO]- 349.140501 197.1
[M+Na-2H]- 311.101316 169.2
[M]+ 290.12610142 168.0
[M]- 290.12719858 168.0
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