CID 22016107

2-(1,3-benzothiazol-2-yl)acetamide

Structural Information

Molecular Formula
C9H8N2OS
SMILES
C1=CC=C2C(=C1)N=C(S2)CC(=O)N
InChI
InChI=1S/C9H8N2OS/c10-8(12)5-9-11-6-3-1-2-4-7(6)13-9/h1-4H,5H2,(H2,10,12)
InChIKey
SIMWFXSMDQBKED-UHFFFAOYSA-N
Compound name
2-(1,3-benzothiazol-2-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

404
Patents

192.03574 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.04302 137.2
[M+Na]+ 215.02496 147.7
[M-H]- 191.02846 141.0
[M+NH4]+ 210.06956 158.7
[M+K]+ 230.99890 144.0
[M+H-H2O]+ 175.03300 131.4
[M+HCOO]- 237.03394 157.3
[M+CH3COO]- 251.04959 151.2
[M+Na-2H]- 213.01041 141.6
[M]+ 192.03519 140.0
[M]- 192.03629 140.0
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