CID 575253

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

Structural Information

Molecular Formula
C13H16N2S
SMILES
CC1=CC(N=C(S1)NC2=CC=CC=C2)(C)C
InChI
InChI=1S/C13H16N2S/c1-10-9-13(2,3)15-12(16-10)14-11-7-5-4-6-8-11/h4-9H,1-3H3,(H,14,15)
InChIKey
NIESPHSLDFVWAU-UHFFFAOYSA-N
Compound name
4,4,6-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]+ 233.11070 149.7
[M+Na]+ 255.09264 158.2
[M-H]- 231.09614 155.5
[M+NH4]+ 250.13724 169.0
[M+K]+ 271.06658 153.9
[M+H-H2O]+ 215.10068 142.6
[M+HCOO]- 277.10162 167.7
[M+CH3COO]- 291.11727 162.3
[M+Na-2H]- 253.07809 154.7
[M]+ 232.10287 150.2
[M]- 232.10397 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.