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]+ 247.126336 151.7
[M+Na]+ 269.108278 156.3
[M-H]- 245.111784 156.5
[M+NH4]+ 264.152883 168.6
[M+K]+ 285.082218 151.5
[M+H-H2O]+ 229.116320 143.7
[M+HCOO]- 291.117261 165.0
[M+CH3COO]- 305.132911 162.1
[M+Na-2H]- 267.093726 156.3
[M]+ 246.11851142 146.4
[M]- 246.11960858 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.