CID 390873

Nsc688963

Structural Information

Molecular Formula
C16H20N2O4
SMILES
CC1=C(N(C(=O)NC1=O)C(C)OCCO)CC2=CC=CC=C2
InChI
InChI=1S/C16H20N2O4/c1-11-14(10-13-6-4-3-5-7-13)18(12(2)22-9-8-19)16(21)17-15(11)20/h3-7,12,19H,8-10H2,1-2H3,(H,17,20,21)
InChIKey
NEUCPIQMVQBCHI-UHFFFAOYSA-N
Compound name
6-benzyl-1-[1-(2-hydroxyethoxy)ethyl]-5-methylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

304.1423 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.14958 169.7
[M+Na]+ 327.13152 178.1
[M-H]- 303.13502 171.6
[M+NH4]+ 322.17612 180.8
[M+K]+ 343.10546 173.3
[M+H-H2O]+ 287.13956 160.9
[M+HCOO]- 349.14050 187.8
[M+CH3COO]- 363.15615 201.0
[M+Na-2H]- 325.11697 171.8
[M]+ 304.14175 172.0
[M]- 304.14285 172.0
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.