CID 148739

2,4(1h,3h)-pyrimidinedione, dihydro-1-((4-(1-methylethoxy)phenyl)methyl)-

Structural Information

Molecular Formula
C14H18N2O3
SMILES
CC(C)OC1=CC=C(C=C1)CN2CCC(=O)NC2=O
InChI
InChI=1S/C14H18N2O3/c1-10(2)19-12-5-3-11(4-6-12)9-16-8-7-13(17)15-14(16)18/h3-6,10H,7-9H2,1-2H3,(H,15,17,18)
InChIKey
APAPFIXAPIJOCA-UHFFFAOYSA-N
Compound name
1-[(4-propan-2-yloxyphenyl)methyl]-1,3-diazinane-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

262.13174 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.139016 160.8
[M+Na]+ 285.120958 166.8
[M-H]- 261.124464 162.9
[M+NH4]+ 280.165563 173.8
[M+K]+ 301.094898 163.3
[M+H-H2O]+ 245.129000 152.1
[M+HCOO]- 307.129941 176.6
[M+CH3COO]- 321.145591 194.8
[M+Na-2H]- 283.106406 162.2
[M]+ 262.13119142 158.2
[M]- 262.13228858 158.2
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.