CID 59280

Brn 0959705

Structural Information

Molecular Formula
C14H13ClN2S
SMILES
C1CN=C(SC1)NC2=CC=C(C3=CC=CC=C32)Cl
InChI
InChI=1S/C14H13ClN2S/c15-12-6-7-13(11-5-2-1-4-10(11)12)17-14-16-8-3-9-18-14/h1-2,4-7H,3,8-9H2,(H,16,17)
InChIKey
MYPICNWHTFGUDI-UHFFFAOYSA-N
Compound name
N-(4-chloronaphthalen-1-yl)-5,6-dihydro-4H-1,3-thiazin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

276.0488 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.05608 156.5
[M+Na]+ 299.03802 164.8
[M-H]- 275.04152 162.3
[M+NH4]+ 294.08262 173.5
[M+K]+ 315.01196 158.1
[M+H-H2O]+ 259.04606 149.4
[M+HCOO]- 321.04700 168.1
[M+CH3COO]- 335.06265 167.9
[M+Na-2H]- 297.02347 161.8
[M]+ 276.04825 156.6
[M]- 276.04935 156.6
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

No patent data available for this compound.