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]+ 276.116496 162.8
[M+Na]+ 298.098438 170.0
[M-H]- 274.101944 168.2
[M+NH4]+ 293.143043 179.4
[M+K]+ 314.072378 165.1
[M+H-H2O]+ 258.106480 154.9
[M+HCOO]- 320.107421 182.4
[M+CH3COO]- 334.123071 201.1
[M+Na-2H]- 296.083886 163.0
[M]+ 275.10867142 164.0
[M]- 275.10976858 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.