CID 150653

55383-99-8

Structural Information

Molecular Formula
C13H16N2O3
SMILES
CCOC1=CC=C(C=C1)CN2CCC(=O)NC2=O
InChI
InChI=1S/C13H16N2O3/c1-2-18-11-5-3-10(4-6-11)9-15-8-7-12(16)14-13(15)17/h3-6H,2,7-9H2,1H3,(H,14,16,17)
InChIKey
AXXKQDRYWZMKRL-UHFFFAOYSA-N
Compound name
1-[(4-ethoxyphenyl)methyl]-1,3-diazinane-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

2
Patents

248.11609 Da
Monoisotopic Mass

0.9
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

literature stripe

Patent stripe

patents stripe