CID 207435

Brn 0804291

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]+ 261.12338 159.0
[M+Na]+ 283.10532 166.0
[M-H]- 259.10882 162.4
[M+NH4]+ 278.14992 172.8
[M+K]+ 299.07926 162.2
[M+H-H2O]+ 243.11336 149.9
[M+HCOO]- 305.11430 177.6
[M+CH3COO]- 319.12995 195.6
[M+Na-2H]- 281.09077 162.0
[M]+ 260.11555 158.1
[M]- 260.11665 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.