CID 4661022

91506-66-0

Structural Information

Molecular Formula
C15H12N2OS
SMILES
CC1=CC=C(C=C1)C(=O)NC2=NC3=CC=CC=C3S2
InChI
InChI=1S/C15H12N2OS/c1-10-6-8-11(9-7-10)14(18)17-15-16-12-4-2-3-5-13(12)19-15/h2-9H,1H3,(H,16,17,18)
InChIKey
WAWUISYKAPVPKW-UHFFFAOYSA-N
Compound name
N-(1,3-benzothiazol-2-yl)-4-methylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

268.06705 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.07433 158.4
[M+Na]+ 291.05627 168.7
[M-H]- 267.05977 165.9
[M+NH4]+ 286.10087 177.0
[M+K]+ 307.03021 163.3
[M+H-H2O]+ 251.06431 151.3
[M+HCOO]- 313.06525 178.8
[M+CH3COO]- 327.08090 171.5
[M+Na-2H]- 289.04172 162.6
[M]+ 268.06650 162.1
[M]- 268.06760 162.1
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