CID 2446586

N-[4-(2-amino-1,3-thiazol-4-yl)phenyl]-2,2-dimethylpropanamide

Structural Information

Molecular Formula
C14H17N3OS
SMILES
CC(C)(C)C(=O)NC1=CC=C(C=C1)C2=CSC(=N2)N
InChI
InChI=1S/C14H17N3OS/c1-14(2,3)12(18)16-10-6-4-9(5-7-10)11-8-19-13(15)17-11/h4-8H,1-3H3,(H2,15,17)(H,16,18)
InChIKey
LSZIDHLVCNOFBH-UHFFFAOYSA-N
Compound name
N-[4-(2-amino-1,3-thiazol-4-yl)phenyl]-2,2-dimethylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

275.10922 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.11650 164.4
[M+Na]+ 298.09844 171.9
[M-H]- 274.10194 170.1
[M+NH4]+ 293.14304 181.1
[M+K]+ 314.07238 167.6
[M+H-H2O]+ 258.10648 157.2
[M+HCOO]- 320.10742 182.4
[M+CH3COO]- 334.12307 200.8
[M+Na-2H]- 296.08389 165.4
[M]+ 275.10867 164.9
[M]- 275.10977 164.9
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

No patent data available for this compound.