CID 3055525

4h-1,3-thiazin-2-amine, n-(3-methylphenyl)-4,4,6-trimethyl-, monohydrochloride

Structural Information

Molecular Formula
C14H18N2S
SMILES
CC1=CC(=CC=C1)NC2=NC(C=C(S2)C)(C)C
InChI
InChI=1S/C14H18N2S/c1-10-6-5-7-12(8-10)15-13-16-14(3,4)9-11(2)17-13/h5-9H,1-4H3,(H,15,16)
InChIKey
AOHXZPLMNIWQSK-UHFFFAOYSA-N
Compound name
4,4,6-trimethyl-N-(3-methylphenyl)-1,3-thiazin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

246.11906 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.12634 153.7
[M+Na]+ 269.10828 162.6
[M-H]- 245.11178 159.6
[M+NH4]+ 264.15288 172.6
[M+K]+ 285.08222 158.0
[M+H-H2O]+ 229.11632 146.6
[M+HCOO]- 291.11726 171.3
[M+CH3COO]- 305.13291 195.8
[M+Na-2H]- 267.09373 157.5
[M]+ 246.11851 154.9
[M]- 246.11961 154.9
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.