CID 14065320

117998-90-0

Structural Information

Molecular Formula

C₁₅H₁₂N₂OS

SMILES

C1=CC=C(C=C1)C(=O)NCC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C15H12N2OS/c18-15(11-6-2-1-3-7-11)16-10-14-17-12-8-4-5-9-13(12)19-14/h1-9H,10H2,(H,16,18)

InChIKey

PYQZKWAXOBMOAR-UHFFFAOYSA-N

Compound name

N-(1,3-benzothiazol-2-ylmethyl)benzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 10
Patents: 268.06705 Da
Monoisotopic Mass: 3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	269.07433	158.0
[M+Na]+	291.05627	167.5
[M-H]-	267.05977	165.2
[M+NH4]+	286.10087	176.3
[M+K]+	307.03021	162.1
[M+H-H2O]+	251.06431	150.7
[M+HCOO]-	313.06525	178.5
[M+CH3COO]-	327.08090	170.8
[M+Na-2H]-	289.04172	163.0
[M]+	268.06650	161.3
[M]-	268.06760	161.3

Literature stripe

literature stripe

Patent stripe

patents stripe