CID 4962231

852916-56-4

Structural Information

Molecular Formula
C14H17N3OS
SMILES
CC(=O)NCCCC1=CC=C(C=C1)C2=CSC(=N2)N
InChI
InChI=1S/C14H17N3OS/c1-10(18)16-8-2-3-11-4-6-12(7-5-11)13-9-19-14(15)17-13/h4-7,9H,2-3,8H2,1H3,(H2,15,17)(H,16,18)
InChIKey
YOUJDBHDDBOOEG-UHFFFAOYSA-N
Compound name
N-[3-[4-(2-amino-1,3-thiazol-4-yl)phenyl]propyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

275.10922 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.11650 163.5
[M+Na]+ 298.09844 173.6
[M+NH4]+ 293.14304 171.1
[M+K]+ 314.07238 167.1
[M-H]- 274.10194 167.4
[M+Na-2H]- 296.08389 169.7
[M]+ 275.10867 166.3
[M]- 275.10977 166.3
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

No patent data available for this compound.