CID 2378238

27779-16-4

Structural Information

Molecular Formula
C10H11ClN2S
SMILES
C1CN=C(SC1)NC2=CC=CC=C2Cl
InChI
InChI=1S/C10H11ClN2S/c11-8-4-1-2-5-9(8)13-10-12-6-3-7-14-10/h1-2,4-5H,3,6-7H2,(H,12,13)
InChIKey
KZRWKTXNDSCUHN-UHFFFAOYSA-N
Compound name
N-(2-chlorophenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

0
Patents

226.03314 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.04042 144.5
[M+Na]+ 249.02236 152.2
[M-H]- 225.02586 149.6
[M+NH4]+ 244.06696 162.4
[M+K]+ 264.99630 146.8
[M+H-H2O]+ 209.03040 137.9
[M+HCOO]- 271.03134 157.5
[M+CH3COO]- 285.04699 156.6
[M+Na-2H]- 247.00781 149.0
[M]+ 226.03259 143.7
[M]- 226.03369 143.7
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

patents stripe