CID 16227101

N-[4-(2-amino-1,3-thiazol-4-yl)-3-fluorophenyl]acetamide

Structural Information

Molecular Formula
C11H10FN3OS
SMILES
CC(=O)NC1=CC(=C(C=C1)C2=CSC(=N2)N)F
InChI
InChI=1S/C11H10FN3OS/c1-6(16)14-7-2-3-8(9(12)4-7)10-5-17-11(13)15-10/h2-5H,1H3,(H2,13,15)(H,14,16)
InChIKey
CGHWVOIMKVVEOK-UHFFFAOYSA-N
Compound name
N-[4-(2-amino-1,3-thiazol-4-yl)-3-fluorophenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

251.05286 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.06014 151.9
[M+Na]+ 274.04208 161.3
[M-H]- 250.04558 156.8
[M+NH4]+ 269.08668 169.7
[M+K]+ 290.01602 156.6
[M+H-H2O]+ 234.05012 143.9
[M+HCOO]- 296.05106 171.4
[M+CH3COO]- 310.06671 196.0
[M+Na-2H]- 272.02753 152.4
[M]+ 251.05231 151.5
[M]- 251.05341 151.5
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.