CID 3055527

72549-94-1

Structural Information

Molecular Formula
C14H20N2S
SMILES
CC1=CC(N(C(S1)NC2=CC=CC=C2)C)(C)C
InChI
InChI=1S/C14H20N2S/c1-11-10-14(2,3)16(4)13(17-11)15-12-8-6-5-7-9-12/h5-10,13,15H,1-4H3
InChIKey
SXLUNMIIRITOJF-UHFFFAOYSA-N
Compound name
3,4,4,6-tetramethyl-N-phenyl-2H-1,3-thiazin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

248.13472 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.14200 154.7
[M+Na]+ 271.12394 162.4
[M-H]- 247.12744 160.2
[M+NH4]+ 266.16854 173.4
[M+K]+ 287.09788 158.1
[M+H-H2O]+ 231.13198 147.6
[M+HCOO]- 293.13292 170.8
[M+CH3COO]- 307.14857 196.8
[M+Na-2H]- 269.10939 157.6
[M]+ 248.13417 154.5
[M]- 248.13527 154.5
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.