CID 57542

Brn 0616001

Structural Information

Molecular Formula
C11H11N3O3
SMILES
CC1(C(=O)NC(=O)NC1=O)CC2=CC=CC=N2
InChI
InChI=1S/C11H11N3O3/c1-11(6-7-4-2-3-5-12-7)8(15)13-10(17)14-9(11)16/h2-5H,6H2,1H3,(H2,13,14,15,16,17)
InChIKey
JGSIFTCUCCQSER-UHFFFAOYSA-N
Compound name
5-methyl-5-(pyridin-2-ylmethyl)-1,3-diazinane-2,4,6-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

233.08005 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.08733 152.6
[M+Na]+ 256.06927 164.5
[M+NH4]+ 251.11387 159.2
[M+K]+ 272.04321 157.7
[M-H]- 232.07277 152.5
[M+Na-2H]- 254.05472 158.9
[M]+ 233.07950 154.0
[M]- 233.08060 154.0
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.