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 166.5
[M+Na]+ 319.05117 176.7
[M-H]- 295.05467 173.7
[M+NH4]+ 314.09577 183.5
[M+K]+ 335.02511 171.4
[M+H-H2O]+ 279.05921 159.4
[M+HCOO]- 341.06015 185.1
[M+CH3COO]- 355.07580 178.8
[M+Na-2H]- 317.03662 167.6
[M]+ 296.06140 170.2
[M]- 296.06250 170.2
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.