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 162.8
[M+Na]+ 298.09844 170.0
[M-H]- 274.10194 168.2
[M+NH4]+ 293.14304 179.4
[M+K]+ 314.07238 165.1
[M+H-H2O]+ 258.10648 154.9
[M+HCOO]- 320.10742 182.4
[M+CH3COO]- 334.12307 201.1
[M+Na-2H]- 296.08389 163.0
[M]+ 275.10867 164.0
[M]- 275.10977 164.0
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.