CID 3561835

Schembl3148233

Structural Information

Molecular Formula
C13H15N3OS
SMILES
C1=CC=C(C=C1)CCNC(=O)CC2=CSC(=N2)N
InChI
InChI=1S/C13H15N3OS/c14-13-16-11(9-18-13)8-12(17)15-7-6-10-4-2-1-3-5-10/h1-5,9H,6-8H2,(H2,14,16)(H,15,17)
InChIKey
LVDFTMZYOPQEQF-UHFFFAOYSA-N
Compound name
2-(2-amino-1,3-thiazol-4-yl)-N-(2-phenylethyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
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 158.0
[M+Na]+ 284.08282 164.8
[M-H]- 260.08632 163.2
[M+NH4]+ 279.12742 174.9
[M+K]+ 300.05676 160.1
[M+H-H2O]+ 244.09086 150.1
[M+HCOO]- 306.09180 178.0
[M+CH3COO]- 320.10745 197.0
[M+Na-2H]- 282.06827 159.5
[M]+ 261.09305 158.4
[M]- 261.09415 158.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe