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]+ 235.126336 152.0
[M+Na]+ 257.108278 159.9
[M-H]- 233.111784 154.6
[M+NH4]+ 252.152883 169.4
[M+K]+ 273.082218 154.6
[M+H-H2O]+ 217.116320 145.0
[M+HCOO]- 279.117261 163.4
[M+CH3COO]- 293.132911 163.0
[M+Na-2H]- 255.093726 153.3
[M]+ 234.11851142 148.8
[M]- 234.11960858 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.