CID 177797635

1-(4-aminophenyl)-4,5-dihydro-3h-1lambda6,2-thiazol-1-one

Structural Information

Molecular Formula
C9H12N2OS
SMILES
C1CN=S(=O)(C1)C2=CC=C(C=C2)N
InChI
InChI=1S/C9H12N2OS/c10-8-2-4-9(5-3-8)13(12)7-1-6-11-13/h2-5H,1,6-7,10H2
InChIKey
IHTKDWFSAQVGKK-UHFFFAOYSA-N
Compound name
4-(1-oxo-4,5-dihydro-3H-1,2-thiazol-1-yl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

196.06703 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.074306 138.4
[M+Na]+ 219.056248 148.0
[M-H]- 195.059754 144.2
[M+NH4]+ 214.100853 160.4
[M+K]+ 235.030188 144.4
[M+H-H2O]+ 179.064290 132.3
[M+HCOO]- 241.065231 158.3
[M+CH3COO]- 255.080881 152.2
[M+Na-2H]- 217.041696 142.5
[M]+ 196.06648142 137.9
[M]- 196.06757858 137.9
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.