CID 519881

21674-96-4

Structural Information

Molecular Formula
C11H11N3OS
SMILES
CC(=O)NC1=CC=C(C=C1)C2=CSC(=N2)N
InChI
InChI=1S/C11H11N3OS/c1-7(15)13-9-4-2-8(3-5-9)10-6-16-11(12)14-10/h2-6H,1H3,(H2,12,14)(H,13,15)
InChIKey
VBBNSESFUHRMJU-UHFFFAOYSA-N
Compound name
N-[4-(2-amino-1,3-thiazol-4-yl)phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

80
Patents

233.06229 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.069566 149.8
[M+Na]+ 256.051508 158.3
[M-H]- 232.055014 155.7
[M+NH4]+ 251.096113 168.1
[M+K]+ 272.025448 154.1
[M+H-H2O]+ 216.059550 142.5
[M+HCOO]- 278.060491 170.4
[M+CH3COO]- 292.076141 192.1
[M+Na-2H]- 254.036956 151.5
[M]+ 233.06174142 149.9
[M]- 233.06283858 149.9
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