CID 79022583

1-(2,5-dimethoxyphenyl)-1,3-diazinan-2-one

Structural Information

Molecular Formula
C12H16N2O3
SMILES
COC1=CC(=C(C=C1)OC)N2CCCNC2=O
InChI
InChI=1S/C12H16N2O3/c1-16-9-4-5-11(17-2)10(8-9)14-7-3-6-13-12(14)15/h4-5,8H,3,6-7H2,1-2H3,(H,13,15)
InChIKey
YJZYJZNNLWLLOA-UHFFFAOYSA-N
Compound name
1-(2,5-dimethoxyphenyl)-1,3-diazinan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

236.11609 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.12337 153.3
[M+Na]+ 259.10531 160.1
[M-H]- 235.10881 155.6
[M+NH4]+ 254.14991 167.5
[M+K]+ 275.07925 157.2
[M+H-H2O]+ 219.11335 144.8
[M+HCOO]- 281.11429 170.6
[M+CH3COO]- 295.12994 188.7
[M+Na-2H]- 257.09076 156.8
[M]+ 236.11554 151.3
[M]- 236.11664 151.3
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.