CID 207435

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

Structural Information

Molecular Formula
C14H16N2O3
SMILES
C=CCN1C(=O)CCN(C1=O)OCC2=CC=CC=C2
InChI
InChI=1S/C14H16N2O3/c1-2-9-15-13(17)8-10-16(14(15)18)19-11-12-6-4-3-5-7-12/h2-7H,1,8-11H2
InChIKey
OPHYYKDBBDUUBX-UHFFFAOYSA-N
Compound name
1-phenylmethoxy-3-prop-2-enyl-1,3-diazinane-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

260.1161 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.123376 159.0
[M+Na]+ 283.105318 166.0
[M-H]- 259.108824 162.4
[M+NH4]+ 278.149923 172.8
[M+K]+ 299.079258 162.2
[M+H-H2O]+ 243.113360 149.9
[M+HCOO]- 305.114301 177.6
[M+CH3COO]- 319.129951 195.6
[M+Na-2H]- 281.090766 162.0
[M]+ 260.11555142 158.1
[M]- 260.11664858 158.1
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.