CID 57627

Brn 0617344

Structural Information

Molecular Formula
C12H13N3O3
SMILES
CC1=NC(=CC=C1)CC2(C(=O)NC(=O)NC2=O)C
InChI
InChI=1S/C12H13N3O3/c1-7-4-3-5-8(13-7)6-12(2)9(16)14-11(18)15-10(12)17/h3-5H,6H2,1-2H3,(H2,14,15,16,17,18)
InChIKey
KJHBWVPWCAYJQU-UHFFFAOYSA-N
Compound name
5-methyl-5-[(6-methylpyridin-2-yl)methyl]-1,3-diazinane-2,4,6-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

247.09569 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.10297 156.1
[M+Na]+ 270.08491 165.1
[M-H]- 246.08841 156.5
[M+NH4]+ 265.12951 170.1
[M+K]+ 286.05885 160.2
[M+H-H2O]+ 230.09295 148.2
[M+HCOO]- 292.09389 171.0
[M+CH3COO]- 306.10954 188.5
[M+Na-2H]- 268.07036 159.7
[M]+ 247.09514 152.2
[M]- 247.09624 152.2
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

No patent data available for this compound.