CID 2345498

100253-53-0

Structural Information

Molecular Formula
C12H16N2OS
SMILES
CCOC1=CC=C(C=C1)NC2=NCCCS2
InChI
InChI=1S/C12H16N2OS/c1-2-15-11-6-4-10(5-7-11)14-12-13-8-3-9-16-12/h4-7H,2-3,8-9H2,1H3,(H,13,14)
InChIKey
GUTMGLXKZQVYEY-UHFFFAOYSA-N
Compound name
N-(4-ethoxyphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

0
Patents

236.09833 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.10561 150.6
[M+Na]+ 259.08755 156.6
[M-H]- 235.09105 155.5
[M+NH4]+ 254.13215 167.2
[M+K]+ 275.06149 152.8
[M+H-H2O]+ 219.09559 142.6
[M+HCOO]- 281.09653 167.7
[M+CH3COO]- 295.11218 190.4
[M+Na-2H]- 257.07300 154.7
[M]+ 236.09778 149.9
[M]- 236.09888 149.9
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.