CID 207575

2,4(1h,3h)-pyrimidinedione, 5,6-dihydro-1-(3-phenylpropoxy)-

Structural Information

Molecular Formula
C13H16N2O3
SMILES
C1CN(C(=O)NC1=O)OCCCC2=CC=CC=C2
InChI
InChI=1S/C13H16N2O3/c16-12-8-9-15(13(17)14-12)18-10-4-7-11-5-2-1-3-6-11/h1-3,5-6H,4,7-10H2,(H,14,16,17)
InChIKey
YAFMWFSMVZIWKQ-UHFFFAOYSA-N
Compound name
1-(3-phenylpropoxy)-1,3-diazinane-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

248.11609 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.12337 156.5
[M+Na]+ 271.10531 162.1
[M-H]- 247.10881 158.2
[M+NH4]+ 266.14991 169.8
[M+K]+ 287.07925 158.3
[M+H-H2O]+ 231.11335 147.5
[M+HCOO]- 293.11429 173.6
[M+CH3COO]- 307.12994 189.7
[M+Na-2H]- 269.09076 160.2
[M]+ 248.11554 153.6
[M]- 248.11664 153.6
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.