CID 673702

4-(2-naphthyl)-1,3-thiazol-2-amine

Structural Information

Molecular Formula
C13H10N2S
SMILES
C1=CC=C2C=C(C=CC2=C1)C3=CSC(=N3)N
InChI
InChI=1S/C13H10N2S/c14-13-15-12(8-16-13)11-6-5-9-3-1-2-4-10(9)7-11/h1-8H,(H2,14,15)
InChIKey
GWDNDNTTXIIXRS-UHFFFAOYSA-N
Compound name
4-naphthalen-2-yl-1,3-thiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

106
Patents

226.05647 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.06375 145.7
[M+Na]+ 249.04569 157.2
[M-H]- 225.04919 152.9
[M+NH4]+ 244.09029 166.0
[M+K]+ 265.01963 151.4
[M+H-H2O]+ 209.05373 139.1
[M+HCOO]- 271.05467 166.8
[M+CH3COO]- 285.07032 159.8
[M+Na-2H]- 247.03114 151.0
[M]+ 226.05592 147.8
[M]- 226.05702 147.8
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

patents stripe