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]+ 221.11070 147.4
[M+Na]+ 243.09264 154.4
[M-H]- 219.09614 152.7
[M+NH4]+ 238.13724 165.0
[M+K]+ 259.06658 150.1
[M+H-H2O]+ 203.10068 139.9
[M+HCOO]- 265.10162 164.2
[M+CH3COO]- 279.11727 159.4
[M+Na-2H]- 241.07809 150.6
[M]+ 220.10287 145.7
[M]- 220.10397 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.