CID 2474355

N-{2-[4-(2-amino-1,3-thiazol-4-yl)phenyl]ethyl}acetamide

Structural Information

Molecular Formula
C13H15N3OS
SMILES
CC(=O)NCCC1=CC=C(C=C1)C2=CSC(=N2)N
InChI
InChI=1S/C13H15N3OS/c1-9(17)15-7-6-10-2-4-11(5-3-10)12-8-18-13(14)16-12/h2-5,8H,6-7H2,1H3,(H2,14,16)(H,15,17)
InChIKey
KKAVKGNRQLTMQU-UHFFFAOYSA-N
Compound name
N-[2-[4-(2-amino-1,3-thiazol-4-yl)phenyl]ethyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

23
Patents

261.0936 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.10088 158.5
[M+Na]+ 284.08282 166.1
[M-H]- 260.08632 164.0
[M+NH4]+ 279.12742 175.6
[M+K]+ 300.05676 161.5
[M+H-H2O]+ 244.09086 150.8
[M+HCOO]- 306.09180 178.4
[M+CH3COO]- 320.10745 198.1
[M+Na-2H]- 282.06827 159.2
[M]+ 261.09305 159.3
[M]- 261.09415 159.3
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