CID 790687

4'-(6-methyl-2-benzothiazolyl)acetanilide

Structural Information

Molecular Formula
C16H14N2OS
SMILES
CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NC(=O)C
InChI
InChI=1S/C16H14N2OS/c1-10-3-8-14-15(9-10)20-16(18-14)12-4-6-13(7-5-12)17-11(2)19/h3-9H,1-2H3,(H,17,19)
InChIKey
NMOPQIFCMATAKJ-UHFFFAOYSA-N
Compound name
N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

15
Patents

282.08267 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.08995 163.1
[M+Na]+ 305.07189 173.8
[M-H]- 281.07539 170.8
[M+NH4]+ 300.11649 181.4
[M+K]+ 321.04583 168.2
[M+H-H2O]+ 265.07993 156.0
[M+HCOO]- 327.08087 183.1
[M+CH3COO]- 341.09652 176.1
[M+Na-2H]- 303.05734 166.1
[M]+ 282.08212 167.6
[M]- 282.08322 167.6
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