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]+ 277.056076 156.5
[M+Na]+ 299.038018 164.8
[M-H]- 275.041524 162.3
[M+NH4]+ 294.082623 173.5
[M+K]+ 315.011958 158.1
[M+H-H2O]+ 259.046060 149.4
[M+HCOO]- 321.047001 168.1
[M+CH3COO]- 335.062651 167.9
[M+Na-2H]- 297.023466 161.8
[M]+ 276.04825142 156.6
[M]- 276.04934858 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.