CID 225470

247225-81-6

Structural Information

Molecular Formula
C10H9N3OS
SMILES
C1=CC(=CC=C1C(=O)NC2=NC=CS2)N
InChI
InChI=1S/C10H9N3OS/c11-8-3-1-7(2-4-8)9(14)13-10-12-5-6-15-10/h1-6H,11H2,(H,12,13,14)
InChIKey
BUSMNBJMZQGXPQ-UHFFFAOYSA-N
Compound name
4-amino-N-(1,3-thiazol-2-yl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

21
Patents

219.04663 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.05391 145.6
[M+Na]+ 242.03585 156.2
[M+NH4]+ 237.08045 153.9
[M+K]+ 258.00979 150.5
[M-H]- 218.03935 149.6
[M+Na-2H]- 240.02130 153.0
[M]+ 219.04608 148.5
[M]- 219.04718 148.5
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

patents stripe