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]+ 235.08997 150.5
[M+Na]+ 257.07191 156.4
[M-H]- 233.07541 155.4
[M+NH4]+ 252.11651 166.9
[M+K]+ 273.04585 152.5
[M+H-H2O]+ 217.07995 142.7
[M+HCOO]- 279.08089 166.7
[M+CH3COO]- 293.09654 190.4
[M+Na-2H]- 255.05736 153.4
[M]+ 234.08214 148.5
[M]- 234.08324 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.