CID 3038376

36815-96-0

Structural Information

Molecular Formula
C13H18N2S
SMILES
CC1CC(NC(=S)N1C2=CC=CC=C2)(C)C
InChI
InChI=1S/C13H18N2S/c1-10-9-13(2,3)14-12(16)15(10)11-7-5-4-6-8-11/h4-8,10H,9H2,1-3H3,(H,14,16)
InChIKey
DFWCASQMWLVFTE-UHFFFAOYSA-N
Compound name
4,4,6-trimethyl-1-phenyl-1,3-diazinane-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

234.11906 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.12634 152.0
[M+Na]+ 257.10828 159.9
[M-H]- 233.11178 154.6
[M+NH4]+ 252.15288 169.4
[M+K]+ 273.08222 154.6
[M+H-H2O]+ 217.11632 145.0
[M+HCOO]- 279.11726 163.4
[M+CH3COO]- 293.13291 163.0
[M+Na-2H]- 255.09373 153.3
[M]+ 234.11851 148.8
[M]- 234.11961 148.8
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.