CID 20833800

Brn 5552318

Structural Information

Molecular Formula
C13H16N2O3
SMILES
COC1=CC=C(C=C1)CCN2CCC(=O)NC2=O
InChI
InChI=1S/C13H16N2O3/c1-18-11-4-2-10(3-5-11)6-8-15-9-7-12(16)14-13(15)17/h2-5H,6-9H2,1H3,(H,14,16,17)
InChIKey
NYQFSPIVALUGOM-UHFFFAOYSA-N
Compound name
1-[2-(4-methoxyphenyl)ethyl]-1,3-diazinane-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

248.11609 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.12337 156.5
[M+Na]+ 271.10531 163.2
[M-H]- 247.10881 158.7
[M+NH4]+ 266.14991 170.2
[M+K]+ 287.07925 159.4
[M+H-H2O]+ 231.11335 147.9
[M+HCOO]- 293.11429 173.7
[M+CH3COO]- 307.12994 190.9
[M+Na-2H]- 269.09076 159.6
[M]+ 248.11554 154.2
[M]- 248.11664 154.2
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

patents stripe