CID 460642

2-(1-naphthylmethyl)-1,3-thiazoline

Structural Information

Molecular Formula
C14H13NS
SMILES
C1CSC(=N1)CC2=CC=CC3=CC=CC=C32
InChI
InChI=1S/C14H13NS/c1-2-7-13-11(4-1)5-3-6-12(13)10-14-15-8-9-16-14/h1-7H,8-10H2
InChIKey
NWBSJNOHKJIUPY-UHFFFAOYSA-N
Compound name
2-(naphthalen-1-ylmethyl)-4,5-dihydro-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

227.07687 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.08415 148.4
[M+Na]+ 250.06609 157.4
[M-H]- 226.06959 155.0
[M+NH4]+ 245.11069 168.8
[M+K]+ 266.04003 152.5
[M+H-H2O]+ 210.07413 141.6
[M+HCOO]- 272.07507 166.1
[M+CH3COO]- 286.09072 161.5
[M+Na-2H]- 248.05154 152.2
[M]+ 227.07632 149.2
[M]- 227.07742 149.2
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.