CID 921158

N-(2,5-dimethylphenyl)-5,6-dihydro-4h-1,3-thiazin-2-amine

Structural Information

Molecular Formula
C12H16N2S
SMILES
CC1=CC(=C(C=C1)C)NC2=NCCCS2
InChI
InChI=1S/C12H16N2S/c1-9-4-5-10(2)11(8-9)14-12-13-6-3-7-15-12/h4-5,8H,3,6-7H2,1-2H3,(H,13,14)
InChIKey
AXBCMDYSVYIPKV-UHFFFAOYSA-N
Compound name
N-(2,5-dimethylphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

10
References

0
Patents

220.10342 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.110696 147.4
[M+Na]+ 243.092638 154.4
[M-H]- 219.096144 152.7
[M+NH4]+ 238.137243 165.0
[M+K]+ 259.066578 150.1
[M+H-H2O]+ 203.100680 139.9
[M+HCOO]- 265.101621 164.2
[M+CH3COO]- 279.117271 159.4
[M+Na-2H]- 241.078086 150.6
[M]+ 220.10287142 145.7
[M]- 220.10396858 145.7
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.