CID 120429

881-55-0

Structural Information

Molecular Formula

C₁₂H₁₅NS

SMILES

CC1(CCSC(=N1)C2=CC=CC=C2)C

InChI

InChI=1S/C12H15NS/c1-12(2)8-9-14-11(13-12)10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3

InChIKey

XODSHKNYWZYQAH-UHFFFAOYSA-N

Compound name

4,4-dimethyl-2-phenyl-5,6-dihydro-1,3-thiazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 205.09251 Da
Monoisotopic Mass: 2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	206.09979	144.2
[M+Na]+	228.08173	158.6
[M+NH4]+	223.12633	156.1
[M+K]+	244.05567	146.5
[M-H]-	204.08523	149.5
[M+Na-2H]-	226.06718	154.9
[M]+	205.09196	148.6
[M]-	205.09306	148.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe