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]+ 247.126336 153.7
[M+Na]+ 269.108278 162.6
[M-H]- 245.111784 159.6
[M+NH4]+ 264.152883 172.6
[M+K]+ 285.082218 158.0
[M+H-H2O]+ 229.116320 146.6
[M+HCOO]- 291.117261 171.3
[M+CH3COO]- 305.132911 195.8
[M+Na-2H]- 267.093726 157.5
[M]+ 246.11851142 154.9
[M]- 246.11960858 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.