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]+ 276.116496 164.4
[M+Na]+ 298.098438 171.9
[M-H]- 274.101944 170.1
[M+NH4]+ 293.143043 181.1
[M+K]+ 314.072378 167.6
[M+H-H2O]+ 258.106480 157.2
[M+HCOO]- 320.107421 182.4
[M+CH3COO]- 334.123071 200.8
[M+Na-2H]- 296.083886 165.4
[M]+ 275.10867142 164.9
[M]- 275.10976858 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.