CID 2384537

1-{4-[(5,6-dihydro-4h-1,3-thiazin-2-yl)amino]phenyl}ethan-1-one

Structural Information

Molecular Formula
C12H14N2OS
SMILES
CC(=O)C1=CC=C(C=C1)NC2=NCCCS2
InChI
InChI=1S/C12H14N2OS/c1-9(15)10-3-5-11(6-4-10)14-12-13-7-2-8-16-12/h3-6H,2,7-8H2,1H3,(H,13,14)
InChIKey
KTABGNRIOKVTMS-UHFFFAOYSA-N
Compound name
1-[4-(5,6-dihydro-4H-1,3-thiazin-2-ylamino)phenyl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

234.08269 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.089966 150.5
[M+Na]+ 257.071908 156.4
[M-H]- 233.075414 155.4
[M+NH4]+ 252.116513 166.9
[M+K]+ 273.045848 152.5
[M+H-H2O]+ 217.079950 142.7
[M+HCOO]- 279.080891 166.7
[M+CH3COO]- 293.096541 190.4
[M+Na-2H]- 255.057356 153.4
[M]+ 234.08214142 148.5
[M]- 234.08323858 148.5
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.