CID 97605

2-thiazoline, 2-(1-naphthylamino)-

Structural Information

Molecular Formula
C13H12N2S
SMILES
C1CSC(=N1)NC2=CC=CC3=CC=CC=C32
InChI
InChI=1S/C13H12N2S/c1-2-6-11-10(4-1)5-3-7-12(11)15-13-14-8-9-16-13/h1-7H,8-9H2,(H,14,15)
InChIKey
OPHJVMLHMZPRDG-UHFFFAOYSA-N
Compound name
N-naphthalen-1-yl-4,5-dihydro-1,3-thiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

0
Patents

228.07211 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.07939 146.6
[M+Na]+ 251.06133 155.3
[M-H]- 227.06483 153.2
[M+NH4]+ 246.10593 166.7
[M+K]+ 267.03527 150.3
[M+H-H2O]+ 211.06937 139.7
[M+HCOO]- 273.07031 165.7
[M+CH3COO]- 287.08596 159.6
[M+Na-2H]- 249.04678 151.8
[M]+ 228.07156 146.4
[M]- 228.07266 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.