CID 46781929

145356-32-7

Structural Information

Molecular Formula
C12H16N2OS
SMILES
CC1=CC(=CC(=C1NC2=NCCCS2)C)O
InChI
InChI=1S/C12H16N2OS/c1-8-6-10(15)7-9(2)11(8)14-12-13-4-3-5-16-12/h6-7,15H,3-5H2,1-2H3,(H,13,14)
InChIKey
FXWQWFCVDXMJNM-UHFFFAOYSA-N
Compound name
4-(5,6-dihydro-4H-1,3-thiazin-2-ylamino)-3,5-dimethylphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

236.09833 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.105606 151.2
[M+Na]+ 259.087548 158.5
[M-H]- 235.091054 155.4
[M+NH4]+ 254.132153 167.7
[M+K]+ 275.061488 153.8
[M+H-H2O]+ 219.095590 144.0
[M+HCOO]- 281.096531 166.7
[M+CH3COO]- 295.112181 190.2
[M+Na-2H]- 257.072996 153.4
[M]+ 236.09778142 149.5
[M]- 236.09887858 149.5
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

patents stripe