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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.09979 143.1
[M+Na]+ 228.08173 150.9
[M-H]- 204.08523 148.5
[M+NH4]+ 223.12633 163.3
[M+K]+ 244.05567 147.3
[M+H-H2O]+ 188.08977 136.3
[M+HCOO]- 250.09071 159.0
[M+CH3COO]- 264.10636 155.8
[M+Na-2H]- 226.06718 147.7
[M]+ 205.09196 142.1
[M]- 205.09306 142.1
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

patents stripe