CID 74983774

871504-35-7

Structural Information

Molecular Formula
C12H14N2O2
SMILES
CC1=CC(=CC(=C1)N2CCC(=O)NC2=O)C
InChI
InChI=1S/C12H14N2O2/c1-8-5-9(2)7-10(6-8)14-4-3-11(15)13-12(14)16/h5-7H,3-4H2,1-2H3,(H,13,15,16)
InChIKey
GGROVWVIRROCAO-UHFFFAOYSA-N
Compound name
1-(3,5-dimethylphenyl)-1,3-diazinane-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

218.10553 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.11281 149.1
[M+Na]+ 241.09475 157.4
[M-H]- 217.09825 151.9
[M+NH4]+ 236.13935 164.5
[M+K]+ 257.06869 153.2
[M+H-H2O]+ 201.10279 141.2
[M+HCOO]- 263.10373 166.4
[M+CH3COO]- 277.11938 187.0
[M+Na-2H]- 239.08020 151.9
[M]+ 218.10498 145.4
[M]- 218.10608 145.4
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.