CID 3033809

Brn 0617345

Structural Information

Molecular Formula
C12H13N3O2S
SMILES
CC1=NC(=CC=C1)CC2(C(=O)NC(=S)NC2=O)C
InChI
InChI=1S/C12H13N3O2S/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
HYCHBLWKBCEYST-UHFFFAOYSA-N
Compound name
5-methyl-5-[(6-methylpyridin-2-yl)methyl]-2-sulfanylidene-1,3-diazinane-4,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

263.07285 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.08013 160.5
[M+Na]+ 286.06207 172.4
[M+NH4]+ 281.10667 167.8
[M+K]+ 302.03601 163.0
[M-H]- 262.06557 161.0
[M+Na-2H]- 284.04752 166.1
[M]+ 263.07230 162.7
[M]- 263.07340 162.7
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.