CID 43616652

N-(benzo[d]thiazol-2-ylmethyl)acrylamide

Structural Information

Molecular Formula

C₁₁H₁₀N₂OS

SMILES

C=CC(=O)NCC1=NC2=CC=CC=C2S1

InChI

InChI=1S/C11H10N2OS/c1-2-10(14)12-7-11-13-8-5-3-4-6-9(8)15-11/h2-6H,1,7H2,(H,12,14)

InChIKey

ZHRZQFIQEDGZRE-UHFFFAOYSA-N

Compound name

N-(1,3-benzothiazol-2-ylmethyl)prop-2-enamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 218.05139 Da
Monoisotopic Mass: 2.1
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]+	219.058666	145.5
[M+Na]+	241.040608	155.5
[M-H]-	217.044114	149.6
[M+NH4]+	236.085213	166.2
[M+K]+	257.014548	151.1
[M+H-H2O]+	201.048650	139.3
[M+HCOO]-	263.049591	165.8
[M+CH3COO]-	277.065241	187.3
[M+Na-2H]-	239.026056	149.9
[M]+	218.05084142	149.2
[M]-	218.05193858	149.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe