CID 200940

6h-1,3-thiazin-2-amine, n-phenyl-4,6,6-trimethyl-, monohydrochloride

Structural Information

Molecular Formula
C13H16N2S
SMILES
CC1=CC(SC(=N1)NC2=CC=CC=C2)(C)C
InChI
InChI=1S/C13H16N2S/c1-10-9-13(2,3)16-12(14-10)15-11-7-5-4-6-8-11/h4-9H,1-3H3,(H,14,15)
InChIKey
UQVOCRWRQUBLAL-UHFFFAOYSA-N
Compound name
4,6,6-trimethyl-N-phenyl-1,3-thiazin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

232.10342 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.110696 149.7
[M+Na]+ 255.092638 158.2
[M-H]- 231.096144 155.5
[M+NH4]+ 250.137243 169.0
[M+K]+ 271.066578 153.9
[M+H-H2O]+ 215.100680 142.6
[M+HCOO]- 277.101621 167.7
[M+CH3COO]- 291.117271 162.3
[M+Na-2H]- 253.078086 154.7
[M]+ 232.10287142 150.2
[M]- 232.10396858 150.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.