CID 39510

49702-22-9

Structural Information

Molecular Formula
C16H12N2O2S
SMILES
CC(=O)C1=CC2=C(C=C1)SC(=N2)C3=CC=C(C=C3)C(=O)N
InChI
InChI=1S/C16H12N2O2S/c1-9(19)12-6-7-14-13(8-12)18-16(21-14)11-4-2-10(3-5-11)15(17)20/h2-8H,1H3,(H2,17,20)
InChIKey
BQNBYMWITANTPB-UHFFFAOYSA-N
Compound name
4-(5-acetyl-1,3-benzothiazol-2-yl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

296.06195 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.06923 165.3
[M+Na]+ 319.05117 178.9
[M+NH4]+ 314.09577 173.6
[M+K]+ 335.02511 172.1
[M-H]- 295.05467 169.5
[M+Na-2H]- 317.03662 172.7
[M]+ 296.06140 168.9
[M]- 296.06250 168.9
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.