CID 59286

1-naphthylamine, 5,6,7,8-tetrahydro-n-(5,6-dihydro-4h-1,3-thiazin-2-yl)-

Structural Information

Molecular Formula
C14H18N2S
SMILES
C1CCC2=C(C1)C=CC=C2NC3=NCCCS3
InChI
InChI=1S/C14H18N2S/c1-2-7-12-11(5-1)6-3-8-13(12)16-14-15-9-4-10-17-14/h3,6,8H,1-2,4-5,7,9-10H2,(H,15,16)
InChIKey
UOMFLZNHLUVGJL-UHFFFAOYSA-N
Compound name
N-(5,6,7,8-tetrahydronaphthalen-1-yl)-5,6-dihydro-4H-1,3-thiazin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

0
Patents

246.11906 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.12634 151.7
[M+Na]+ 269.10828 156.3
[M-H]- 245.11178 156.5
[M+NH4]+ 264.15288 168.6
[M+K]+ 285.08222 151.5
[M+H-H2O]+ 229.11632 143.7
[M+HCOO]- 291.11726 165.0
[M+CH3COO]- 305.13291 162.1
[M+Na-2H]- 267.09373 156.3
[M]+ 246.11851 146.4
[M]- 246.11961 146.4
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.